ChemSpider 2D Image | 6-Benzyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one | C13H13N3O

6-Benzyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one

  • Molecular FormulaC13H13N3O
  • Average mass227.262 Da
  • Monoisotopic mass227.105865 Da
  • ChemSpider ID22525049

More details:

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

1092352-66-3 [RN]
3,5,6,7-tetrahydro-6-(phenylmethyl)-4H-Pyrrolo[3,4-d]pyrimidin-4-one
4H-Pyrrolo[3,4-d]pyrimidin-4-one, 3,5,6,7-tetrahydro-6-(phenylmethyl)- [ACD/Index Name]
6-Benzyl-1,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
6-Benzyl-1,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
6-Benzyl-1,5,6,7-tétrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
6-Benzyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
[1092352-66-3] [RN]
109235-26-9 [RN]
6-BENZYL-1H,5H,7H-PYRROLO[3,4-D]PYRIMIDIN-4-ONE
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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: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.680
    Molar Refractivity: 65.7±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.05
    ACD/LogD (pH 5.5): 0.58
    ACD/BCF (pH 5.5): 1.33
    ACD/KOC (pH 5.5): 33.81
    ACD/LogD (pH 7.4): 0.92
    ACD/BCF (pH 7.4): 2.95
    ACD/KOC (pH 7.4): 75.24
    Polar Surface Area: 45 Å2
    Polarizability: 26.1±0.5 10-24cm3
    Surface Tension: 54.0±7.0 dyne/cm
    Molar Volume: 173.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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