4-Amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

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  • Identifiers

    CAS number
    790299-36-4

    Molecular formula
    C9H13N3O3

    SMILES
    C1CC(OC1CO)N2C=CC(=NC2=O)N

  • Odor profile

    Fragrance
    Odorless 62.23%
    Nutty 27.35%
    Roasted 27.29%
    Popcorn 24.77%
    Meaty 24.46%
    Savory 21.7%
    Cooked 20.23%
    Bitter 19.99%
    Sweet 19.13%
    Burnt 18.41%

     

    Flavor
    Bitter 75.88%
    Odorless 30.89%
    Roasted 23.33%
    Sweet-like 21.46%
    Bread crust 20.71%
    Cooked beef juice 20.17%
    Taco 20.15%
    Roasted peanuts 20.0%
    Alkaline 19.79%
    Scallion 19.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.3

    pKa est.
    5.63 (weak acid)

    Molecular weight
    211.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    660°C

    Flash point

    • 227.55 ˚C est.

  • Synonyms

    • 4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
    • NSC606170
    • 2',3'-Dideoxycytidine;ddC;Dideoxycytidine
    • 2?,3?-Dideoxycytidine
    • CHEMBL18537
    • SCHEMBL12149465
    • SCHEMBL21100417
    • DTXSID60928175
    • CHEBI:181069
    • HMS3371L15
    • HMS3393H18
    • HMS3655K04
    • HMS3867I13
    • 2',3'-DIDEOXYCYTIDINE (DDC)
    • AB01085
    • LS-13656
    • NCI60_004652
    • SY106119
    • DB-138166
    • 1-[5-(Hydroxymethyl)oxolan-2-yl]-4-imino-1,4-dihydropyrimidin-2-ol
    • 2 inverted exclamation mark ,3 inverted exclamation mark -Dideoxycytidine
    • 4-Amino-1-[tetrahydro-5-(hydroxymethyl)-2-furanyl]-2(1h)-pyrimidinone
    • 790299-36-4

  • Applications

    Chemical name 4-Amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (CAS number: 790299-36-4) is a nucleoside-like derivative primarily used as a synthetic building block for nucleoside analogs in pharmaceutical development; it is often evaluated as an intermediate for the synthesis of antiviral and anticancer nucleoside agents, and in nucleotide chemistry as a substrate for oligonucleotide research and enzymatic phosphorylation studies; in analytical and research settings it can serve as a reference standard or reagent for nucleoside quantification workflows.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.51
    methanol 45.71
    isopropanol 5.79
    water 82.56
    ethyl acetate 3.15
    n-propanol 6.99
    acetone 5.95
    n-butanol 6.69
    acetonitrile 6.2
    DMF 207.05
    toluene 0.75
    isobutanol 4.62
    1,4-dioxane 5.33
    methyl acetate 3.35
    THF 20.41
    2-butanone 4.7
    n-pentanol 3.91
    sec-butanol 4.12
    n-hexane 0.05
    ethylene glycol 46.12
    NMP 182.79
    cyclohexane 0.11
    DMSO 328.27
    n-butyl acetate 3.65
    n-octanol 0.67
    chloroform 4.25
    n-propyl acetate 2.76
    acetic acid 154.49
    dichloromethane 5.95
    cyclohexanone 18.33
    propylene glycol 52.4
    isopropyl acetate 2.25
    DMAc 182.36
    2-ethoxyethanol 39.36
    isopentanol 6.36
    n-heptane 0.08
    ethyl formate 13.63
    1,2-dichloroethane 3.65
    n-hexanol 2.9
    2-methoxyethanol 110.64
    isobutyl acetate 1.8
    tetrachloromethane 1.03
    n-pentyl acetate 1.67
    transcutol 33.89
    n-heptanol 1.48
    ethylbenzene 0.42
    MIBK 3.39
    2-propoxyethanol 24.05
    tert-butanol 6.35
    MTBE 0.86
    2-butoxyethanol 11.49
    propionic acid 28.76
    o-xylene 1.0
    formic acid 459.19
    diethyl ether 0.64
    m-xylene 1.07
    p-xylene 0.84
    chlorobenzene 1.51
    dimethyl carbonate 7.39
    n-octane 0.03
    formamide 373.61
    cyclopentanone 30.61
    2-pentanone 4.09
    anisole 1.51
    cyclopentyl methyl ether 3.92
    gamma-butyrolactone 59.85
    1-methoxy-2-propanol 51.82
    pyridine 10.4
    3-pentanone 2.71
    furfural 81.61
    n-dodecane 0.03
    diethylene glycol 59.15
    diisopropyl ether 0.29
    tert-amyl alcohol 5.1
    acetylacetone 8.92
    n-hexadecane 0.03
    acetophenone 5.14
    methyl propionate 5.92
    isopentyl acetate 4.06
    trichloroethylene 10.87
    n-nonanol 0.79
    cyclohexanol 4.86
    benzyl alcohol 7.14
    2-ethylhexanol 1.67
    isooctanol 1.35
    dipropyl ether 0.85
    1,2-dichlorobenzene 1.96
    ethyl lactate 10.63
    propylene carbonate 28.73
    n-methylformamide 119.6
    2-pentanol 2.42
    n-pentane 0.06
    1-propoxy-2-propanol 11.68
    1-methoxy-2-propyl acetate 9.28
    2-(2-methoxypropoxy) propanol 14.01
    mesitylene 0.74
    ε-caprolactone 21.3
    p-cymene 0.84
    epichlorohydrin 29.4
    1,1,1-trichloroethane 2.13
    2-aminoethanol 54.59
    morpholine-4-carbaldehyde 89.77
    sulfolane 113.35
    2,2,4-trimethylpentane 0.06
    2-methyltetrahydrofuran 6.1
    n-hexyl acetate 1.7
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 15.54
    sec-butyl acetate 1.53
    tert-butyl acetate 3.09
    decalin 0.08
    glycerin 156.21
    diglyme 25.31
    acrylic acid 51.88
    isopropyl myristate 0.79
    n-butyric acid 31.17
    acetyl acetate 4.64
    di(2-ethylhexyl) phthalate 3.91
    ethyl propionate 2.31
    nitromethane 128.78
    1,2-diethoxyethane 1.98
    benzonitrile 6.75
    trioctyl phosphate 2.23
    1-bromopropane 0.98
    gamma-valerolactone 77.51
    n-decanol 0.62
    triethyl phosphate 3.91
    4-methyl-2-pentanol 1.93
    propionitrile 4.32
    vinylene carbonate 27.86
    1,1,2-trichlorotrifluoroethane 95.71
    DMS 4.04
    cumene 0.46
    2-octanol 0.65
    2-hexanone 2.55
    octyl acetate 1.25
    limonene 1.0
    1,2-dimethoxyethane 18.98
    ethyl orthosilicate 2.92
    tributyl phosphate 2.75
    diacetone alcohol 14.9
    N,N-dimethylaniline 1.91
    acrylonitrile 11.46
    aniline 4.59
    1,3-propanediol 57.54
    bromobenzene 1.05
    dibromomethane 2.61
    1,1,2,2-tetrachloroethane 7.69
    2-methyl-cyclohexyl acetate 3.78
    tetrabutyl urea 4.28
    diisobutyl methanol 1.08
    2-phenylethanol 5.54
    styrene 0.42
    dioctyl adipate 2.53
    dimethyl sulfate 31.99
    ethyl butyrate 3.24
    methyl lactate 32.2
    butyl lactate 6.83
    diethyl carbonate 3.16
    propanediol butyl ether 14.41
    triethyl orthoformate 3.18
    p-tert-butyltoluene 0.74
    methyl 4-tert-butylbenzoate 7.37
    morpholine 13.93
    tert-butylamine 1.34
    n-dodecanol 0.47
    dimethoxymethane 19.65
    ethylene carbonate 18.86
    cyrene 32.85
    2-ethoxyethyl acetate 3.65
    2-ethylhexyl acetate 2.75
    1,2,4-trichlorobenzene 3.44
    4-methylpyridine 7.48
    dibutyl ether 0.4
    2,6-dimethyl-4-heptanol 1.08
    DEF 15.65
    dimethyl isosorbide 22.63
    tetrachloroethylene 5.68
    eugenol 10.9
    triacetin 5.81
    span 80 10.51
    1,4-butanediol 24.16
    1,1-dichloroethane 1.7
    2-methyl-1-pentanol 4.02
    methyl formate 59.22
    2-methyl-1-butanol 5.38
    n-decane 0.04
    butyronitrile 5.11
    3,7-dimethyl-1-octanol 1.14
    1-chlorooctane 0.17
    1-chlorotetradecane 0.1
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.06
    cyclooctane 0.05
    cyclopentanol 9.61
    tetrahydropyran 2.54
    tert-amyl methyl ether 1.15
    2,5,8-trioxanonane 20.39
    1-hexene 0.23
    2-isopropoxyethanol 13.91
    2,2,2-trifluoroethanol 88.29
    methyl butyrate 4.85

    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