ChemSpider 2D Image | 5-Bromo-N~2~-(1-methyl-1H-pyrazol-4-yl)-N~4~-phenyl-2,4-pyrimidinediamine | C14H13BrN6

5-Bromo-N2-(1-methyl-1H-pyrazol-4-yl)-N4-phenyl-2,4-pyrimidinediamine

  • Molecular FormulaC14H13BrN6
  • Average mass345.197 Da
  • Monoisotopic mass344.038513 Da
  • ChemSpider ID24808886

More details:

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

2,4-Pyrimidinediamine, 5-bromo-N2-(1-methyl-1H-pyrazol-4-yl)-N4-phenyl- [ACD/Index Name]
5-Brom-N2-(1-methyl-1H-pyrazol-4-yl)-N4-phenyl-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-Bromo-N2-(1-methyl-1H-pyrazol-4-yl)-N4-phenyl-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-Bromo-N2-(1-méthyl-1H-pyrazol-4-yl)-N4-phényl-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
Kinome_1226

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

Density: 1.6±0.1 g/cm3
Boiling Point: 536.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.1±32.9 °C
Index of Refraction: 1.717
Molar Refractivity: 86.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 60.37
ACD/KOC (pH 5.5): 641.41
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 64.99
ACD/KOC (pH 7.4): 690.43
Polar Surface Area: 68 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 218.5±7.0 cm3

Click to predict properties on the Chemicalize site


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