ChemSpider 2D Image | 4-(Benzylamino)-2-(methylthio)pyrimidine-5-carboxamide | C13H14N4OS

4-(Benzylamino)-2-(methylthio)pyrimidine-5-carboxamide

  • Molecular FormulaC13H14N4OS
  • Average mass274.341 Da
  • Monoisotopic mass274.088837 Da
  • ChemSpider ID28557810

More details:

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

4-(Benzylamino)-2-(methylthio)pyrimidine-5-carboxamide
919486-26-3 [RN]
4-(Benzylamino)-2-(methylsulfanyl)-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
4-(Benzylamino)-2-(methylsulfanyl)-5-pyrimidinecarboxamide [ACD/IUPAC Name]
4-(Benzylamino)-2-(méthylsulfanyl)-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
4-(Benzylamino)-2-(methylsulfanyl)pyrimidine-5-carboxamide
4-(benzylamino)-2-methylsulfanylpyrimidine-5-carboxamide
5-Pyrimidinecarboxamide, 2-(methylthio)-4-[(phenylmethyl)amino]- [ACD/Index Name]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 508.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.9±3.0 kJ/mol
    Flash Point: 261.4±27.3 °C
    Index of Refraction: 1.660
    Molar Refractivity: 76.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.33
    ACD/LogD (pH 5.5): 2.57
    ACD/BCF (pH 5.5): 52.59
    ACD/KOC (pH 5.5): 593.21
    ACD/LogD (pH 7.4): 2.57
    ACD/BCF (pH 7.4): 52.69
    ACD/KOC (pH 7.4): 594.32
    Polar Surface Area: 106 Å2
    Polarizability: 30.3±0.5 10-24cm3
    Surface Tension: 71.1±5.0 dyne/cm
    Molar Volume: 206.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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