6-Amino-1,3-dimethyluracil

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  • Identifiers

    CAS number
    6642-31-5

    Molecular formula
    C6H9N3O2

    SMILES
    CN1C(=CC(=O)N(C1=O)C)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 61.87%
    Bitter 27.8%
    Burnt 24.24%
    Animal 17.65%
    Musty 17.19%
    Roasted 16.16%
    Phenolic 15.31%
    Pungent 14.95%
    Cheesy 14.69%
    Cooked 14.32%

     

    Flavor
    Bitter 74.98%
    Odorless 41.42%
    Mild 24.11%
    Bread crust 21.57%
    Nitrile 21.0%
    Taco 20.56%
    Formyl 20.55%
    Roasted peanuts 20.48%
    Soybean 20.44%
    Very strong 20.25%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.1

    pKa est.
    5.25 (weak acid)

    Molecular weight
    155.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    485°C

    Flash point

    • 160.93 ˚C est.

  • Synonyms

    • 6-Amino-1,3-dimethyluracil
    • 6642-31-5
    • 6-Amino-1,3-dimethyl uracil
    • 2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl-
    • DTXSID4074350
    • RefChem:104160
    • DTXCID5044811
    • 229-662-0
    • 6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
    • 6-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
    • 1,3-Dimethyl-6-amino-uracil
    • MFCD00006552
    • Uracil, 6-amino-1,3-dimethyl-
    • 6-amino-1,3-dimethylpyrimidine-2,4-dione
    • 6-amino-1,3-dimethyl-pyrimidine-2,4-dione
    • 6-Amino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
    • EINECS 229-662-0
    • NSC 15492
    • 6-amino-1,3-dimethyl-1,3-dihydropyrimidine-2,4-dione
    • BRN 0144390
    • 1,3-dimethyl-6-aminouracil
    • 4-Amino-1,3-dimethyluracil
    • AI3-52449
    • NSC15492
    • EC 229-662-0
    • 1.3-dimethyl-6-aminouracil
    • Oprea1_258982
    • SCHEMBL23857
    • 5-25-15-00389 (Beilstein Handbook Reference)
    • 6-amino-N,N'-dimethyluracil
    • orb3029315
    • SCHEMBL9132115
    • HMS1760O20
    • BB_SC-03461
    • 6-Amino-1,3-dimethyluracil, 98%
    • NSC-15492
    • SBB004028
    • STK711155
    • AKOS000119420
    • AKOS015923159
    • AC-2046
    • CS-W002006
    • FA09306
    • SB57729
    • AS-13106
    • SY032905
    • 6-amino-1,3-dimethyl-2,4-dioxopyrimidine
    • A1420
    • NS00007019
    • ST45024948
    • EN300-17430
    • Theophylline Impurity 3; Urapidil Impurity H
    • 4-Amino-1,3-dimethyl-2,6-dihydroxypyrimidine
    • 2,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl-
    • 6-amino-1,3-dimethyl-1H-pyrimidine-2,4-dione
    • AB-323/25048015
    • 6-Amino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione #
    • Z56931829
    • F3055-0304
    • 6-Amino-1,3-di methyluracil 100 microg/mL in Acetonitrile
    • 6-Amino-1,3-dimethylpyrimidine-2,4(1h,3h)-dione;6-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione;1,3-Dimethyl-6-amino-2,4(1h,3h)-pyrimidinedione
    • 6642-31-5

  • Applications

    Chemical name: 6-Amino-1,3-dimethyluracil; CAS number: 6642-31-5. It is typically used as a synthetic intermediate in pharmaceutical development, providing a heterocyclic uracil scaffold for the preparation of nucleoside- and nucleotide-like compounds and other drug-like heterocycles. It also serves as a versatile building block in organic synthesis within R&D settings, enabling functionalization at the N-1 and N-3 positions and selective ring modifications. In addition, it may be explored for dye and probe chemistry as a uracil-based scaffold for specialty materials, and in the development of advanced polymers or coatings where such heterocycles act as functional components. Usage is guided by formulation goals and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.72
    methanol 19.18
    isopropanol 7.37
    water 16.04
    ethyl acetate 4.43
    n-propanol 7.41
    acetone 9.47
    n-butanol 5.87
    acetonitrile 7.21
    DMF 51.0
    toluene 1.46
    isobutanol 5.63
    1,4-dioxane 11.96
    methyl acetate 6.7
    THF 27.15
    2-butanone 9.69
    n-pentanol 4.12
    sec-butanol 6.21
    n-hexane 0.11
    ethylene glycol 11.82
    NMP 49.75
    cyclohexane 0.05
    DMSO 87.17
    n-butyl acetate 3.85
    n-octanol 1.47
    chloroform 11.79
    n-propyl acetate 2.54
    acetic acid 15.04
    dichloromethane 16.0
    cyclohexanone 12.54
    propylene glycol 11.37
    isopropyl acetate 2.86
    DMAc 61.45
    2-ethoxyethanol 17.44
    isopentanol 5.16
    n-heptane 0.1
    ethyl formate 11.16
    1,2-dichloroethane 8.5
    n-hexanol 3.43
    2-methoxyethanol 41.05
    isobutyl acetate 1.68
    tetrachloromethane 2.78
    n-pentyl acetate 3.03
    transcutol 7.92
    n-heptanol 2.51
    ethylbenzene 0.84
    MIBK 4.62
    2-propoxyethanol 17.16
    tert-butanol 9.16
    MTBE 2.9
    2-butoxyethanol 9.22
    propionic acid 8.78
    o-xylene 1.63
    formic acid 37.27
    diethyl ether 2.3
    m-xylene 1.58
    p-xylene 1.62
    chlorobenzene 3.3
    dimethyl carbonate 5.86
    n-octane 0.06
    formamide 41.47
    cyclopentanone 24.2
    2-pentanone 6.47
    anisole 3.75
    cyclopentyl methyl ether 5.46
    gamma-butyrolactone 31.94
    1-methoxy-2-propanol 23.08
    pyridine 10.51
    3-pentanone 4.42
    furfural 43.22
    n-dodecane 0.06
    diethylene glycol 23.17
    diisopropyl ether 0.62
    tert-amyl alcohol 7.79
    acetylacetone 8.08
    n-hexadecane 0.07
    acetophenone 5.73
    methyl propionate 6.65
    isopentyl acetate 4.15
    trichloroethylene 17.34
    n-nonanol 1.49
    cyclohexanol 3.43
    benzyl alcohol 6.18
    2-ethylhexanol 1.97
    isooctanol 2.22
    dipropyl ether 1.43
    1,2-dichlorobenzene 4.23
    ethyl lactate 4.55
    propylene carbonate 14.29
    n-methylformamide 29.14
    2-pentanol 2.85
    n-pentane 0.09
    1-propoxy-2-propanol 9.25
    1-methoxy-2-propyl acetate 6.68
    2-(2-methoxypropoxy) propanol 7.37
    mesitylene 0.94
    ε-caprolactone 12.79
    p-cymene 1.1
    epichlorohydrin 39.48
    1,1,1-trichloroethane 6.54
    2-aminoethanol 14.9
    morpholine-4-carbaldehyde 35.45
    sulfolane 53.64
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 11.93
    n-hexyl acetate 2.94
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 6.99
    sec-butyl acetate 1.68
    tert-butyl acetate 3.86
    decalin 0.12
    glycerin 27.48
    diglyme 13.82
    acrylic acid 10.54
    isopropyl myristate 1.08
    n-butyric acid 10.08
    acetyl acetate 3.08
    di(2-ethylhexyl) phthalate 3.17
    ethyl propionate 2.92
    nitromethane 30.62
    1,2-diethoxyethane 2.34
    benzonitrile 6.54
    trioctyl phosphate 2.19
    1-bromopropane 2.9
    gamma-valerolactone 39.53
    n-decanol 1.06
    triethyl phosphate 3.47
    4-methyl-2-pentanol 2.02
    propionitrile 5.73
    vinylene carbonate 13.77
    1,1,2-trichlorotrifluoroethane 34.41
    DMS 3.59
    cumene 0.89
    2-octanol 1.55
    2-hexanone 3.76
    octyl acetate 1.67
    limonene 1.23
    1,2-dimethoxyethane 19.67
    ethyl orthosilicate 2.82
    tributyl phosphate 2.35
    diacetone alcohol 11.27
    N,N-dimethylaniline 3.46
    acrylonitrile 9.79
    aniline 5.03
    1,3-propanediol 19.36
    bromobenzene 2.56
    dibromomethane 7.42
    1,1,2,2-tetrachloroethane 14.55
    2-methyl-cyclohexyl acetate 3.41
    tetrabutyl urea 3.44
    diisobutyl methanol 1.36
    2-phenylethanol 5.44
    styrene 0.8
    dioctyl adipate 2.08
    dimethyl sulfate 19.96
    ethyl butyrate 3.06
    methyl lactate 11.28
    butyl lactate 4.5
    diethyl carbonate 2.56
    propanediol butyl ether 7.17
    triethyl orthoformate 2.72
    p-tert-butyltoluene 1.09
    methyl 4-tert-butylbenzoate 7.32
    morpholine 16.59
    tert-butylamine 2.75
    n-dodecanol 0.72
    dimethoxymethane 19.69
    ethylene carbonate 9.64
    cyrene 15.74
    2-ethoxyethyl acetate 4.63
    2-ethylhexyl acetate 2.92
    1,2,4-trichlorobenzene 5.99
    4-methylpyridine 12.01
    dibutyl ether 0.85
    2,6-dimethyl-4-heptanol 1.36
    DEF 11.49
    dimethyl isosorbide 13.88
    tetrachloroethylene 9.03
    eugenol 8.07
    triacetin 3.6
    span 80 5.09
    1,4-butanediol 7.7
    1,1-dichloroethane 6.09
    2-methyl-1-pentanol 4.06
    methyl formate 24.83
    2-methyl-1-butanol 5.18
    n-decane 0.09
    butyronitrile 6.17
    3,7-dimethyl-1-octanol 1.66
    1-chlorooctane 0.56
    1-chlorotetradecane 0.23
    n-nonane 0.07
    undecane 0.07
    tert-butylcyclohexane 0.14
    cyclooctane 0.04
    cyclopentanol 8.33
    tetrahydropyran 4.35
    tert-amyl methyl ether 3.2
    2,5,8-trioxanonane 9.81
    1-hexene 0.5
    2-isopropoxyethanol 8.27
    2,2,2-trifluoroethanol 17.83
    methyl butyrate 4.78

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction