5,7-Dihydro-2-methylthieno(3,4-d)pyrimidine

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  • Identifiers

    CAS number
    36267-71-7

    Molecular formula
    C7H8N2S

    SMILES
    CC1=NC=C2CSCC2=N1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 71.11%
    Roasted 70.65%
    Meaty 56.31%
    Popcorn 49.31%
    Burnt 33.29%
    Musty 32.77%
    Hazelnut 32.28%
    Earthy 32.09%
    Cooked 31.53%
    Coffee 31.37%

     

    Flavor
    Roasted 54.15%
    Bitter 47.61%
    Nutty 40.9%
    Coffee 34.15%
    Roast 32.82%
    Corn 30.53%
    Cocoa 27.66%
    Nut 26.81%
    Earthy 26.29%
    Potato 26.23%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    3.63 (weak acid)

    Molecular weight
    152.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 64.5 - 65 °C

    Boiling point

    • 280.00 to 281.00 °C. @ 760.00 mm Hg

    Flash point

    • 127.99 ˚C est.

    Solubility expt.

    • very slightly
    • Very slighlty soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-methyl-5,7-dihydrothieno[3,4-d]pyrimidine
    • 36267-71-7
    • 5,7-dihydro-2-methylthieno[3,4-d]pyrimidine
    • 5,7-Dihydro-2-methylthieno(3,4-d)pyrimidine
    • FEMA No. 3338
    • popcorn pyrimidine
    • thienyl pyrimidine
    • EINECS 252-940-8
    • 2-Methyl-5,7-dihydrothieno(3,4-d)pyrimidine
    • Thieno(3,4-d)pyrimidine, 5,7-dihydro-2-methyl-
    • UNII-56X379115Y
    • MFCD00038619
    • Thieno[3,4-d]pyrimidine, 5,7-dihydro-2-methyl-
    • 56X379115Y
    • DTXSID1052038
    • 2-METHYL-5H,7H-THIENO[3,4-D]PYRIMIDINE
    • 5,7-DIHYDRO-2-METHYLTHIENO(3,4-D)PYRIMIDINE [FHFI]
    • 2-methyl-5H,7H-thieno(3,4-d)pyrimidine
    • SCHEMBL3505600
    • DTXCID6030605
    • FEMA 3338
    • CHEBI:178139
    • AKOS006272898
    • AC-9042
    • DS-17435
    • SY102473
    • DB-003520
    • CS-0186669
    • NS00021134
    • C74866
    • 5,7-Dihydro-2-methyl-Thieno(3,4-D)pyrimidine
    • Q27261438
    • 5,7-DIHYDRO-2-METHYL THIENO (3,4-D)PYRIMIDINE
    • 5,7- DIHYDRO-2-METHYL THIENO (3,4-D)PYRIMIDINE
    • 5,7-Dihydro-2-Methylthieno[3,4-d]Pyrimidine,Popcorn Aroma
    • 2-Methyl-5 pound not7-dihydrothieno[3 pound not4-d]pyrimidine
    • 252-940-8

  • Applications

    5,7-Dihydro-2-methylthieno(3,4-d)pyrimidine, CAS 36267-71-7, is primarily used as a building block and synthetic intermediate in pharmaceutical development. In industry and research, it serves as a heterocyclic scaffold for preparing drug-like compounds and as a starting material for library synthesis in medicinal chemistry programs. It may also be used in industrial chemical manufacturing as an intermediate for more complex heterocycles and specialty chemicals, with use governed by local regulations. In R&D settings, it is often evaluated for its versatility to enable diverse derivatives through subsequent functionalization.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 116.38
    methanol 172.45
    isopropanol 80.54
    water 7.03
    ethyl acetate 130.44
    n-propanol 99.25
    acetone 237.44
    n-butanol 78.97
    acetonitrile 168.14
    DMF 434.43
    toluene 95.21
    isobutanol 79.91
    1,4-dioxane 334.45
    methyl acetate 166.32
    THF 308.13
    2-butanone 188.76
    n-pentanol 77.59
    sec-butanol 77.31
    n-hexane 7.02
    ethylene glycol 99.02
    NMP 379.2
    cyclohexane 10.75
    DMSO 427.44
    n-butyl acetate 83.76
    n-octanol 62.57
    chloroform 491.14
    n-propyl acetate 84.96
    acetic acid 160.29
    dichloromethane 471.88
    cyclohexanone 246.29
    propylene glycol 90.84
    isopropyl acetate 78.11
    DMAc 352.93
    2-ethoxyethanol 175.33
    isopentanol 71.1
    n-heptane 10.1
    ethyl formate 116.81
    1,2-dichloroethane 239.43
    n-hexanol 79.04
    2-methoxyethanol 246.96
    isobutyl acetate 67.27
    tetrachloromethane 74.22
    n-pentyl acetate 81.16
    transcutol 386.53
    n-heptanol 62.5
    ethylbenzene 43.83
    MIBK 88.73
    2-propoxyethanol 184.98
    tert-butanol 80.57
    MTBE 70.33
    2-butoxyethanol 135.5
    propionic acid 129.59
    o-xylene 63.6
    formic acid 100.64
    diethyl ether 84.23
    m-xylene 68.32
    p-xylene 67.3
    chlorobenzene 168.93
    dimethyl carbonate 100.96
    n-octane 6.91
    formamide 127.03
    cyclopentanone 332.19
    2-pentanone 131.42
    anisole 121.17
    cyclopentyl methyl ether 143.73
    gamma-butyrolactone 345.24
    1-methoxy-2-propanol 180.69
    pyridine 301.93
    3-pentanone 121.83
    furfural 422.23
    n-dodecane 8.59
    diethylene glycol 205.74
    diisopropyl ether 29.09
    tert-amyl alcohol 71.86
    acetylacetone 195.77
    n-hexadecane 9.68
    acetophenone 131.74
    methyl propionate 137.36
    isopentyl acetate 79.9
    trichloroethylene 484.44
    n-nonanol 55.42
    cyclohexanol 80.86
    benzyl alcohol 119.02
    2-ethylhexanol 53.08
    isooctanol 52.4
    dipropyl ether 59.5
    1,2-dichlorobenzene 162.0
    ethyl lactate 73.24
    propylene carbonate 168.88
    n-methylformamide 204.58
    2-pentanol 54.78
    n-pentane 7.14
    1-propoxy-2-propanol 117.98
    1-methoxy-2-propyl acetate 112.06
    2-(2-methoxypropoxy) propanol 113.96
    mesitylene 42.95
    ε-caprolactone 199.62
    p-cymene 38.02
    epichlorohydrin 375.73
    1,1,1-trichloroethane 194.3
    2-aminoethanol 111.15
    morpholine-4-carbaldehyde 386.84
    sulfolane 391.23
    2,2,4-trimethylpentane 6.18
    2-methyltetrahydrofuran 191.25
    n-hexyl acetate 103.37
    isooctane 5.26
    2-(2-butoxyethoxy)ethanol 153.37
    sec-butyl acetate 60.62
    tert-butyl acetate 76.51
    decalin 11.09
    glycerin 149.81
    diglyme 271.83
    acrylic acid 151.44
    isopropyl myristate 47.52
    n-butyric acid 116.49
    acetyl acetate 101.77
    di(2-ethylhexyl) phthalate 62.7
    ethyl propionate 79.42
    nitromethane 326.57
    1,2-diethoxyethane 117.93
    benzonitrile 169.94
    trioctyl phosphate 44.8
    1-bromopropane 110.16
    gamma-valerolactone 413.75
    n-decanol 44.48
    triethyl phosphate 49.91
    4-methyl-2-pentanol 41.86
    propionitrile 119.2
    vinylene carbonate 196.81
    1,1,2-trichlorotrifluoroethane 266.48
    DMS 121.95
    cumene 38.46
    2-octanol 46.09
    2-hexanone 98.61
    octyl acetate 59.17
    limonene 45.99
    1,2-dimethoxyethane 241.3
    ethyl orthosilicate 46.21
    tributyl phosphate 51.32
    diacetone alcohol 107.36
    N,N-dimethylaniline 93.44
    acrylonitrile 179.46
    aniline 128.64
    1,3-propanediol 114.96
    bromobenzene 180.55
    dibromomethane 265.79
    1,1,2,2-tetrachloroethane 344.61
    2-methyl-cyclohexyl acetate 70.96
    tetrabutyl urea 69.88
    diisobutyl methanol 34.33
    2-phenylethanol 105.97
    styrene 59.78
    dioctyl adipate 68.98
    dimethyl sulfate 183.94
    ethyl butyrate 65.73
    methyl lactate 107.22
    butyl lactate 80.2
    diethyl carbonate 53.14
    propanediol butyl ether 125.92
    triethyl orthoformate 56.24
    p-tert-butyltoluene 35.46
    methyl 4-tert-butylbenzoate 111.09
    morpholine 265.89
    tert-butylamine 49.73
    n-dodecanol 36.78
    dimethoxymethane 218.17
    ethylene carbonate 147.71
    cyrene 145.17
    2-ethoxyethyl acetate 128.8
    2-ethylhexyl acetate 67.76
    1,2,4-trichlorobenzene 187.97
    4-methylpyridine 247.66
    dibutyl ether 59.93
    2,6-dimethyl-4-heptanol 34.33
    DEF 158.49
    dimethyl isosorbide 175.88
    tetrachloroethylene 232.58
    eugenol 125.74
    triacetin 117.37
    span 80 104.95
    1,4-butanediol 80.44
    1,1-dichloroethane 207.95
    2-methyl-1-pentanol 68.54
    methyl formate 189.38
    2-methyl-1-butanol 71.85
    n-decane 11.48
    butyronitrile 104.44
    3,7-dimethyl-1-octanol 55.24
    1-chlorooctane 45.84
    1-chlorotetradecane 22.94
    n-nonane 10.5
    undecane 9.86
    tert-butylcyclohexane 10.52
    cyclooctane 5.23
    cyclopentanol 112.69
    tetrahydropyran 171.73
    tert-amyl methyl ether 61.31
    2,5,8-trioxanonane 196.52
    1-hexene 29.31
    2-isopropoxyethanol 125.19
    2,2,2-trifluoroethanol 103.45
    methyl butyrate 100.8

    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