ChemSpider 2D Image | N-tert-butyl-6-chloro-5-(1H-pyrrol-1-yl)pyrimidin-4-amine | C12H15ClN4

N-tert-butyl-6-chloro-5-(1H-pyrrol-1-yl)pyrimidin-4-amine

  • Molecular FormulaC12H15ClN4
  • Average mass250.727 Da
  • Monoisotopic mass250.098526 Da
  • ChemSpider ID35500354

More details:

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

1710472-50-6 [RN]
4-Pyrimidinamine, 6-chloro-N-(1,1-dimethylethyl)-5-(1H-pyrrol-1-yl)- [ACD/Index Name]
6-Chlor-N-(2-methyl-2-propanyl)-5-(1H-pyrrol-1-yl)-4-pyrimidinamin [German] [ACD/IUPAC Name]
6-Chloro-N-(2-methyl-2-propanyl)-5-(1H-pyrrol-1-yl)-4-pyrimidinamine [ACD/IUPAC Name]
6-Chloro-N-(2-méthyl-2-propanyl)-5-(1H-pyrrol-1-yl)-4-pyrimidinamine [French] [ACD/IUPAC Name]
N-tert-butyl-6-chloro-5-(1H-pyrrol-1-yl)pyrimidin-4-amine
MFCD27981108
N-(tert-Butyl)-6-chloro-5-(1H-pyrrol-1-yl)pyrimidin-4-amine
N-tert-butyl-6-chloro-5-pyrrol-1-ylpyrimidin-4-amine
tert-Butyl-(6-chloro-5-pyrrol-1-yl-pyrimidin-4-yl)-amine

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 406.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.8±3.0 kJ/mol
    Flash Point: 199.6±28.7 °C
    Index of Refraction: 1.600
    Molar Refractivity: 70.4±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.97
    ACD/LogD (pH 5.5): 3.67
    ACD/BCF (pH 5.5): 362.31
    ACD/KOC (pH 5.5): 2362.61
    ACD/LogD (pH 7.4): 3.67
    ACD/BCF (pH 7.4): 362.32
    ACD/KOC (pH 7.4): 2362.66
    Polar Surface Area: 43 Å2
    Polarizability: 27.9±0.5 10-24cm3
    Surface Tension: 41.6±7.0 dyne/cm
    Molar Volume: 205.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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