ChemSpider 2D Image | 4-Amino-N-benzyl-2-(methylsulfanyl)-5-pyrimidinecarboxamide | C13H14N4OS

4-Amino-N-benzyl-2-(methylsulfanyl)-5-pyrimidinecarboxamide

  • Molecular FormulaC13H14N4OS
  • Average mass274.341 Da
  • Monoisotopic mass274.088837 Da
  • ChemSpider ID26014454

More details:

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

1261007-62-8 [RN]
4-Amino-N-benzyl-2-(methylsulfanyl)-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
4-Amino-N-benzyl-2-(methylsulfanyl)-5-pyrimidinecarboxamide [ACD/IUPAC Name]
4-Amino-N-benzyl-2-(méthylsulfanyl)-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
4-amino-N-benzyl-2-(methylsulfanyl)pyrimidine-5-carboxamide
5-Pyrimidinecarboxamide, 4-amino-2-(methylthio)-N-(phenylmethyl)- [ACD/Index Name]
[1261007-62-8] [RN]
>90%
4-Amino-2-methylsulfanyl-pyrimidine-5-carboxylic acid benzylamide
4-amino-N-benzyl-2-(methylthio)pyrimidine-5-carboxamide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 552.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.3±3.0 kJ/mol
    Flash Point: 287.9±28.7 °C
    Index of Refraction: 1.660
    Molar Refractivity: 76.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.40
    ACD/LogD (pH 5.5): 2.32
    ACD/BCF (pH 5.5): 33.99
    ACD/KOC (pH 5.5): 434.16
    ACD/LogD (pH 7.4): 2.32
    ACD/BCF (pH 7.4): 34.04
    ACD/KOC (pH 7.4): 434.71
    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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