ChemSpider 2D Image | 6-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile | C12H9N3O2

6-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile

  • Molecular FormulaC12H9N3O2
  • Average mass227.219 Da
  • Monoisotopic mass227.069473 Da
  • ChemSpider ID26773131

More details:

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

5900-42-5 [RN]
5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-1-phenyl- [ACD/Index Name]
6-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydro-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
6-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
6-Méthyl-2,4-dioxo-1-phényl-1,2,3,4-tétrahydro-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
6-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
[5900-42-5] [RN]
6-Methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-carbonitrile
6-methyl-2,4-dioxo-1-phenyl-3H-pyrimidine-5-carbonitrile
6-methyl-2,4-dioxo-1-phenylpyrimidine-5-carbonitrile
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.642
    Molar Refractivity: 59.7±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.88
    ACD/LogD (pH 5.5): 1.15
    ACD/BCF (pH 5.5): 4.35
    ACD/KOC (pH 5.5): 98.94
    ACD/LogD (pH 7.4): 0.69
    ACD/BCF (pH 7.4): 1.54
    ACD/KOC (pH 7.4): 34.96
    Polar Surface Area: 73 Å2
    Polarizability: 23.6±0.5 10-24cm3
    Surface Tension: 65.0±5.0 dyne/cm
    Molar Volume: 165.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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