2-Methyl-5,7-dihydrofuro[3,4-d]pyrimidine

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  • Identifiers

    CAS number
    36267-74-0

    Molecular formula
    C7H8N2O

    SMILES
    CC1=NC=C2COCC2=N1

  • Odor profile

    Fragrance
    Sweet 63.15%
    Nutty 46.04%
    Roasted 38.74%
    Popcorn 34.53%
    Musty 27.48%
    Animal 27.26%
    Powdery 25.47%
    Earthy 25.0%
    Almond 24.4%
    Burnt 24.38%

     

    Flavor
    Bitter 60.36%
    Roasted 41.28%
    Nutty 32.98%
    Coffee 29.53%
    Earthy 25.19%
    Roast 24.84%
    Musty 23.84%
    Corn 23.41%
    Potato 23.15%
    Cocoa 23.02%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    3.88 (weak acid)

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    227°C

    Flash point

    • 105.58 ˚C est.

  • Synonyms

    • 36267-74-0
    • 2-methyl-5,7-dihydrofuro[3,4-d]pyrimidine
    • SCHEMBL11794547
    • DTXSID801272690
    • DB-287464
    • 5,7-Dihydro-2-methylfuro[3,4-d]pyrimidine
    • FURO[3,4-D]PYRIMIDINE, 5,7-DIHYDRO-2-METHYL-

  • Applications

    2-Methyl-5,7-dihydrofuro[3,4-d]pyrimidine (CAS 36267-74-0) is primarily used as an intermediate in pharmaceutical synthesis, serving as a building block for heterocyclic compounds and nucleoside-like derivatives. In practice, it acts as a core starting material for complex synthetic routes to support drug discovery and development programs. Real-world applications are concentrated in research and development, contract pharmaceutical manufacturing (CMO/CRO), and as a precursor for subsequent reactions to access target derivatives, while also supporting basic research at academic and industrial laboratories. It may be evaluated for use as an intermediate in pharmaceutical synthesis or as a precursor to bioactive derivatives, and is regarded as a specialized building block within medicinal chemistry programs.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 95.76
    methanol 147.68
    isopropanol 74.21
    water 26.11
    ethyl acetate 92.1
    n-propanol 83.93
    acetone 116.02
    n-butanol 66.79
    acetonitrile 133.6
    DMF 253.4
    toluene 52.07
    isobutanol 70.1
    1,4-dioxane 178.99
    methyl acetate 100.86
    THF 143.4
    2-butanone 94.83
    n-pentanol 52.49
    sec-butanol 67.75
    n-hexane 3.02
    ethylene glycol 97.84
    NMP 184.04
    cyclohexane 4.16
    DMSO 231.79
    n-butyl acetate 41.97
    n-octanol 32.08
    chloroform 250.86
    n-propyl acetate 39.64
    acetic acid 131.04
    dichloromethane 255.79
    cyclohexanone 106.34
    propylene glycol 74.95
    isopropyl acetate 45.41
    DMAc 225.82
    2-ethoxyethanol 127.14
    isopentanol 56.71
    n-heptane 5.76
    ethyl formate 87.61
    1,2-dichloroethane 127.09
    n-hexanol 54.63
    2-methoxyethanol 225.27
    isobutyl acetate 30.02
    tetrachloromethane 49.81
    n-pentyl acetate 34.18
    transcutol 177.21
    n-heptanol 34.91
    ethylbenzene 21.47
    MIBK 46.77
    2-propoxyethanol 125.25
    tert-butanol 74.21
    MTBE 47.24
    2-butoxyethanol 76.59
    propionic acid 83.83
    o-xylene 37.22
    formic acid 142.4
    diethyl ether 51.05
    m-xylene 40.67
    p-xylene 32.51
    chlorobenzene 80.21
    dimethyl carbonate 53.46
    n-octane 3.48
    formamide 130.24
    cyclopentanone 127.3
    2-pentanone 68.98
    anisole 55.82
    cyclopentyl methyl ether 73.36
    gamma-butyrolactone 155.24
    1-methoxy-2-propanol 145.71
    pyridine 140.94
    3-pentanone 60.58
    furfural 213.7
    n-dodecane 4.03
    diethylene glycol 158.45
    diisopropyl ether 16.66
    tert-amyl alcohol 63.96
    acetylacetone 94.03
    n-hexadecane 4.46
    acetophenone 61.61
    methyl propionate 85.29
    isopentyl acetate 40.24
    trichloroethylene 247.42
    n-nonanol 28.94
    cyclohexanol 56.8
    benzyl alcohol 65.66
    2-ethylhexanol 32.87
    isooctanol 29.1
    dipropyl ether 31.9
    1,2-dichlorobenzene 75.13
    ethyl lactate 43.76
    propylene carbonate 84.01
    n-methylformamide 145.6
    2-pentanol 42.29
    n-pentane 3.88
    1-propoxy-2-propanol 74.33
    1-methoxy-2-propyl acetate 59.04
    2-(2-methoxypropoxy) propanol 67.88
    mesitylene 24.62
    ε-caprolactone 93.7
    p-cymene 22.87
    epichlorohydrin 196.84
    1,1,1-trichloroethane 113.09
    2-aminoethanol 105.41
    morpholine-4-carbaldehyde 205.06
    sulfolane 162.98
    2,2,4-trimethylpentane 4.48
    2-methyltetrahydrofuran 106.56
    n-hexyl acetate 43.54
    isooctane 3.36
    2-(2-butoxyethoxy)ethanol 82.85
    sec-butyl acetate 28.05
    tert-butyl acetate 40.53
    decalin 5.13
    glycerin 137.5
    diglyme 149.11
    acrylic acid 97.19
    isopropyl myristate 22.07
    n-butyric acid 88.3
    acetyl acetate 60.87
    di(2-ethylhexyl) phthalate 29.26
    ethyl propionate 41.39
    nitromethane 205.7
    1,2-diethoxyethane 52.38
    benzonitrile 85.03
    trioctyl phosphate 21.69
    1-bromopropane 61.65
    gamma-valerolactone 186.03
    n-decanol 23.6
    triethyl phosphate 27.87
    4-methyl-2-pentanol 30.36
    propionitrile 88.54
    vinylene carbonate 100.15
    1,1,2-trichlorotrifluoroethane 161.58
    DMS 48.32
    cumene 20.33
    2-octanol 23.76
    2-hexanone 42.97
    octyl acetate 28.12
    limonene 26.75
    1,2-dimethoxyethane 140.76
    ethyl orthosilicate 26.54
    tributyl phosphate 24.55
    diacetone alcohol 65.18
    N,N-dimethylaniline 45.38
    acrylonitrile 122.47
    aniline 82.82
    1,3-propanediol 109.47
    bromobenzene 76.39
    dibromomethane 145.47
    1,1,2,2-tetrachloroethane 166.36
    2-methyl-cyclohexyl acetate 33.1
    tetrabutyl urea 32.37
    diisobutyl methanol 23.42
    2-phenylethanol 59.14
    styrene 25.77
    dioctyl adipate 31.1
    dimethyl sulfate 97.18
    ethyl butyrate 37.52
    methyl lactate 71.61
    butyl lactate 37.16
    diethyl carbonate 30.51
    propanediol butyl ether 62.63
    triethyl orthoformate 32.27
    p-tert-butyltoluene 21.69
    methyl 4-tert-butylbenzoate 53.75
    morpholine 159.47
    tert-butylamine 43.14
    n-dodecanol 19.58
    dimethoxymethane 140.27
    ethylene carbonate 77.4
    cyrene 75.14
    2-ethoxyethyl acetate 52.31
    2-ethylhexyl acetate 31.78
    1,2,4-trichlorobenzene 87.7
    4-methylpyridine 125.41
    dibutyl ether 25.33
    2,6-dimethyl-4-heptanol 23.42
    DEF 100.51
    dimethyl isosorbide 88.32
    tetrachloroethylene 118.98
    eugenol 62.97
    triacetin 46.05
    span 80 50.41
    1,4-butanediol 64.01
    1,1-dichloroethane 123.44
    2-methyl-1-pentanol 46.15
    methyl formate 126.45
    2-methyl-1-butanol 59.19
    n-decane 5.6
    butyronitrile 80.29
    3,7-dimethyl-1-octanol 31.45
    1-chlorooctane 21.14
    1-chlorotetradecane 10.78
    n-nonane 5.14
    undecane 4.63
    tert-butylcyclohexane 5.46
    cyclooctane 2.63
    cyclopentanol 71.54
    tetrahydropyran 83.87
    tert-amyl methyl ether 43.24
    2,5,8-trioxanonane 108.21
    1-hexene 12.98
    2-isopropoxyethanol 79.22
    2,2,2-trifluoroethanol 93.1
    methyl butyrate 51.85

    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