ChemSpider 2D Image | 4-((Cyclohexylmethyl)amino)-2-(methylthio)pyrimidine-5-carboxylic acid | C13H19N3O2S

4-((Cyclohexylmethyl)amino)-2-(methylthio)pyrimidine-5-carboxylic acid

  • Molecular FormulaC13H19N3O2S
  • Average mass281.374 Da
  • Monoisotopic mass281.119812 Da
  • ChemSpider ID22504747

More details:

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

1065075-52-6 [RN]
4-((Cyclohexylmethyl)amino)-2-(methylthio)pyrimidine-5-carboxylic acid
4-[(Cyclohexylmethyl)amino]-2-(methylthio)-5-pyrimidinecarboxylic acid
4-(CYCLOHEXYLMETHYLAMINO)-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLIC ACID
4-[(Cyclohexylmethyl)amino]-2-(methylsulfanyl)pyrimidine-5-carboxylic acid
MFCD11100915

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 496.3±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.5±3.0 kJ/mol
    Flash Point: 253.9±24.6 °C
    Index of Refraction: 1.598
    Molar Refractivity: 75.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 5.89
    ACD/LogD (pH 5.5): 2.54
    ACD/BCF (pH 5.5): 12.44
    ACD/KOC (pH 5.5): 40.42
    ACD/LogD (pH 7.4): 1.94
    ACD/BCF (pH 7.4): 3.13
    ACD/KOC (pH 7.4): 10.16
    Polar Surface Area: 100 Å2
    Polarizability: 29.8±0.5 10-24cm3
    Surface Tension: 63.6±5.0 dyne/cm
    Molar Volume: 220.7±5.0 cm3

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