ChemSpider 2D Image | Ethyl 2-amino-4-oxo-1,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate | C9H12N4O3

Ethyl 2-amino-4-oxo-1,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate

  • Molecular FormulaC9H12N4O3
  • Average mass224.217 Da
  • Monoisotopic mass224.090942 Da
  • ChemSpider ID26232293

More details:

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

2-Amino-4-oxo-1,4,5,7-tétrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 2-amino-3,4,5,7-tetrahydro-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 2-amino-4-oxo-1,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-2-amino-4-oxo-1,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
1046861-16-8 [RN]
ethyl 2-amino-4-hydroxy-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
Ethyl 2-amino-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
Ethyl 2-amino-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6(4H)-carboxylate
ethyl 2-imino-4-oxo-3,4,5,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-6(2H)-carboxylate
MFCD28168137

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

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.710
    Molar Refractivity: 53.8±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.11
    ACD/LogD (pH 5.5): -0.19
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 17.32
    ACD/LogD (pH 7.4): -0.13
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 20.12
    Polar Surface Area: 97 Å2
    Polarizability: 21.3±0.5 10-24cm3
    Surface Tension: 68.4±7.0 dyne/cm
    Molar Volume: 137.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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