4-Pyrimidinol, 2,5,6-triamino-, hydrogen sulfate (ester)

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  • Identifiers

    CAS number
    1603-02-7

    Molecular formula
    C4H7N5O4S

    SMILES
    C1(=C(N=C(N=C1OS(=O)(=O)O)N)N)N

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 90.79%
    Cooked 17.16%
    Savory 17.06%
    Meaty 12.94%
    Bitter 12.19%
    Roasted 11.39%
    Clean 10.72%
    Burnt 10.34%
    Sulfurous 10.3%
    Cooling 9.89%

     

    Flavor
    Bitter 85.6%
    Odorless 40.93%
    Bland 28.55%
    Mild 23.55%
    Nitrile 19.81%
    Bread crust 19.04%
    Sweet-like 18.94%
    Cedarleaf 18.73%
    Taco 18.6%
    Scallion 18.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.8

    pKa est.
    6.46 (neutral)

    Molecular weight
    221.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    539°C

    Flash point

    • 262.7 ˚C est.

  • Synonyms

    • 2,5,6-Triaminopyrimidin-4-ol sulphate
    • 4-Pyrimidinol, 2,5,6-triamino-, monosulfate
    • EINECS 216-500-9
    • 4-Pyrimidinol, 2,5,6-triamino-, hydrogen sulfate (ester)
    • RefChem:526680
    • 216-500-9
    • 1603-02-7
    • 2,5,6-triaminopyrimidin-4-yl hydrogen sulfate
    • (2,5,6-triaminopyrimidin-4-yl) hydrogen sulfate
    • 6-Hydroxy 2,4,5-Triaminopyrimidine Sulfate
    • MFCD01457351
    • C4H7N5O4S
    • (2,5,6-TRIAMINOPYRIMIDIN-4-YL)OXIDANESULFONIC ACID
    • 4-Pyrimidinol, 2,5,6-triamino-, hydrogen sulfate (7CI); 4-Pyrimidinol, 2,5,6-triamino-, hydrogen sulfate (ester) (8CI,9CI)
    • 2,5,6-Triamino-4-pyrimidinyl Hydrogen Sulfate
    • T3YK834X4U
    • SCHEMBL19467887
    • DTXSID20862708
    • DJUGBKWOBAOTFA-UHFFFAOYSA-N
    • 97% (contains <10%ammonium salt)
    • AKOS016001424
    • FT64780
    • AC-24465
    • DS-15917
    • SY101073
    • 2,5,6-triaminopyrimidin-4-ylhydrogensulfate
    • CS-0157942
    • C73034
    • F219741
    • 2,5,6-Triamino-4-(hydrogen sulfate)4-pyrimidinol
    • 4-Pyrimidinol, 2,5,6-triamino-, 4-(hydrogen sulfate)
    • 1603-02-7

  • Applications

    4-Pyrimidinol, 2,5,6-triamino-, hydrogen sulfate (ester) (CAS 1603-02-7) is primarily used as an intermediate in the synthesis of heterocyclic compounds and intermediates for dyes, pigments, and pharmaceuticals; it may also act as a building block for specialty polymers and as a functional additive in coatings and inks. The compound can be evaluated for cosmetic/personal care applications as a scaffold for active ingredients or linked colorants, and it may find roles in plastic and adhesive formulations depending on processing conditions and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.16
    methanol 0.3
    isopropanol 0.07
    water 0.27
    ethyl acetate 0.03
    n-propanol 0.1
    acetone 0.12
    n-butanol 0.08
    acetonitrile 0.13
    DMF 1.13
    toluene 0.02
    isobutanol 0.04
    1,4-dioxane 0.21
    methyl acetate 0.05
    THF 0.51
    2-butanone 0.1
    n-pentanol 0.05
    sec-butanol 0.04
    n-hexane 0.01
    ethylene glycol 0.44
    NMP 5.01
    cyclohexane 0.01
    DMSO 5.44
    n-butyl acetate 0.12
    n-octanol 0.02
    chloroform 0.0
    n-propyl acetate 0.04
    acetic acid 0.25
    dichloromethane 0.01
    cyclohexanone 0.22
    propylene glycol 0.3
    isopropyl acetate 0.02
    DMAc 1.78
    2-ethoxyethanol 0.46
    isopentanol 0.04
    n-heptane 0.02
    ethyl formate 0.12
    1,2-dichloroethane 0.02
    n-hexanol 0.1
    2-methoxyethanol 1.24
    isobutyl acetate 0.01
    tetrachloromethane 0.0
    n-pentyl acetate 0.05
    transcutol 0.2
    n-heptanol 0.07
    ethylbenzene 0.01
    MIBK 0.03
    2-propoxyethanol 0.91
    tert-butanol 0.05
    MTBE 0.01
    2-butoxyethanol 0.41
    propionic acid 0.12
    o-xylene 0.02
    formic acid 1.43
    diethyl ether 0.04
    m-xylene 0.01
    p-xylene 0.02
    chlorobenzene 0.01
    dimethyl carbonate 0.05
    n-octane 0.01
    formamide 1.9
    cyclopentanone 0.42
    2-pentanone 0.07
    anisole 0.03
    cyclopentyl methyl ether 0.09
    gamma-butyrolactone 0.61
    1-methoxy-2-propanol 0.49
    pyridine 0.23
    3-pentanone 0.07
    furfural 0.92
    n-dodecane 0.0
    diethylene glycol 1.46
    diisopropyl ether 0.01
    tert-amyl alcohol 0.04
    acetylacetone 0.09
    n-hexadecane 0.0
    acetophenone 0.07
    methyl propionate 0.06
    isopentyl acetate 0.06
    trichloroethylene 0.01
    n-nonanol 0.03
    cyclohexanol 0.06
    benzyl alcohol 0.06
    2-ethylhexanol 0.05
    isooctanol 0.04
    dipropyl ether 0.12
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.12
    propylene carbonate 0.17
    n-methylformamide 0.71
    2-pentanol 0.03
    n-pentane 0.01
    1-propoxy-2-propanol 0.44
    1-methoxy-2-propyl acetate 0.16
    2-(2-methoxypropoxy) propanol 0.22
    mesitylene 0.01
    ε-caprolactone 0.21
    p-cymene 0.03
    epichlorohydrin 0.18
    1,1,1-trichloroethane 0.0
    2-aminoethanol 0.47
    morpholine-4-carbaldehyde 1.76
    sulfolane 2.33
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.14
    n-hexyl acetate 0.03
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.27
    sec-butyl acetate 0.02
    tert-butyl acetate 0.02
    decalin 0.0
    glycerin 1.38
    diglyme 0.5
    acrylic acid 0.22
    isopropyl myristate 0.01
    n-butyric acid 0.11
    acetyl acetate 0.02
    di(2-ethylhexyl) phthalate 0.05
    ethyl propionate 0.04
    nitromethane 0.4
    1,2-diethoxyethane 0.06
    benzonitrile 0.06
    trioctyl phosphate 0.04
    1-bromopropane 0.01
    gamma-valerolactone 1.12
    n-decanol 0.02
    triethyl phosphate 0.08
    4-methyl-2-pentanol 0.01
    propionitrile 0.07
    vinylene carbonate 0.13
    1,1,2-trichlorotrifluoroethane 0.41
    DMS 0.04
    cumene 0.01
    2-octanol 0.03
    2-hexanone 0.07
    octyl acetate 0.02
    limonene 0.03
    1,2-dimethoxyethane 0.56
    ethyl orthosilicate 0.06
    tributyl phosphate 0.03
    diacetone alcohol 0.13
    N,N-dimethylaniline 0.05
    acrylonitrile 0.15
    aniline 0.05
    1,3-propanediol 0.46
    bromobenzene 0.0
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.01
    2-methyl-cyclohexyl acetate 0.07
    tetrabutyl urea 0.11
    diisobutyl methanol 0.03
    2-phenylethanol 0.1
    styrene 0.01
    dioctyl adipate 0.03
    dimethyl sulfate 0.21
    ethyl butyrate 0.1
    methyl lactate 0.24
    butyl lactate 0.14
    diethyl carbonate 0.06
    propanediol butyl ether 0.2
    triethyl orthoformate 0.1
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.11
    morpholine 0.36
    tert-butylamine 0.02
    n-dodecanol 0.02
    dimethoxymethane 0.36
    ethylene carbonate 0.09
    cyrene 0.75
    2-ethoxyethyl acetate 0.07
    2-ethylhexyl acetate 0.06
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.11
    dibutyl ether 0.02
    2,6-dimethyl-4-heptanol 0.03
    DEF 0.22
    dimethyl isosorbide 0.61
    tetrachloroethylene 0.01
    eugenol 0.19
    triacetin 0.05
    span 80 0.14
    1,4-butanediol 0.16
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.03
    methyl formate 0.36
    2-methyl-1-butanol 0.04
    n-decane 0.01
    butyronitrile 0.07
    3,7-dimethyl-1-octanol 0.01
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 0.12
    tetrahydropyran 0.08
    tert-amyl methyl ether 0.02
    2,5,8-trioxanonane 0.45
    1-hexene 0.02
    2-isopropoxyethanol 0.14
    2,2,2-trifluoroethanol 0.19
    methyl butyrate 0.07

    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