Found 1 result

Search term: YXNOCWXSPOTSLB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | TERT-BUTYL 2-METHYL-5H,7H-PYRROLO[3,4-D]PYRIMIDINE-6-CARBOXYLATE | C12H17N3O2

TERT-BUTYL 2-METHYL-5H,7H-PYRROLO[3,4-D]PYRIMIDINE-6-CARBOXYLATE

  • Molecular FormulaC12H17N3O2
  • Average mass235.282 Da
  • Monoisotopic mass235.132080 Da
  • ChemSpider ID23499649

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1160995-19-6 [RN]
2-Methyl-2-propanyl 2-methyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-methyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
2-Méthyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 5,7-dihydro-2-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 2-methyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
tert-butyl 2-methyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
TERT-BUTYL 2-METHYL-5H,7H-PYRROLO[3,4-D]PYRIMIDINE-6-CARBOXYLATE
[1160995-19-6] [RN]
116099-51-5 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 341.3±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.5±3.0 kJ/mol
    Flash Point: 160.2±27.9 °C
    Index of Refraction: 1.546
    Molar Refractivity: 63.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.18
    ACD/LogD (pH 5.5): 1.38
    ACD/BCF (pH 5.5): 6.56
    ACD/KOC (pH 5.5): 133.71
    ACD/LogD (pH 7.4): 1.38
    ACD/BCF (pH 7.4): 6.56
    ACD/KOC (pH 7.4): 133.83
    Polar Surface Area: 55 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 49.9±3.0 dyne/cm
    Molar Volume: 199.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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