ChemSpider 2D Image | tert-butyl 4-oxo-3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-6-carboxylate | C11H15N3O3

tert-butyl 4-oxo-3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-6-carboxylate

  • Molecular FormulaC11H15N3O3
  • Average mass237.255 Da
  • Monoisotopic mass237.111343 Da
  • ChemSpider ID28190407

More details:

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

1229455-14-4 [RN]
2-Methyl-2-propanyl 4-oxo-1,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-oxo-1,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
4-Oxo-1,4,5,7-tétrahydro-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, 3,4,5,7-tetrahydro-4-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
MFCD22571335 [MDL number]
tert-butyl 4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
tert-butyl 4-oxo-3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
1-Boc-3,4,5,7-tetrahydro-...
1-Boc-3,4,5,7-tetrahydro-4-oxo-6H-pyrrolo[3,4-d]pyrimidine
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.610
    Molar Refractivity: 61.3±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.20
    ACD/LogD (pH 5.5): 0.56
    ACD/BCF (pH 5.5): 1.58
    ACD/KOC (pH 5.5): 48.23
    ACD/LogD (pH 7.4): 0.56
    ACD/BCF (pH 7.4): 1.58
    ACD/KOC (pH 7.4): 48.22
    Polar Surface Area: 71 Å2
    Polarizability: 24.3±0.5 10-24cm3
    Surface Tension: 48.3±7.0 dyne/cm
    Molar Volume: 176.7±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement