ChemSpider 2D Image | 5-Bromo-N~4~-(5-methyl-1H-pyrazol-3-yl)-N~2~-[(3-methyl-2-pyridinyl)methyl]-2,4-pyrimidinediamine | C15H16BrN7

5-Bromo-N4-(5-methyl-1H-pyrazol-3-yl)-N2-[(3-methyl-2-pyridinyl)methyl]-2,4-pyrimidinediamine

  • Molecular FormulaC15H16BrN7
  • Average mass374.238 Da
  • Monoisotopic mass373.065063 Da
  • ChemSpider ID28523752

More details:

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

2,4-Pyrimidinediamine, 5-bromo-N4-(5-methyl-1H-pyrazol-3-yl)-N2-[(3-methyl-2-pyridinyl)methyl]- [ACD/Index Name]
5-Bromo-N4-(5-methyl-1H-pyrazol-3-yl)-N2-[(3-methyl-2-pyridinyl)methyl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-Brom-N4-(5-methyl-1H-pyrazol-3-yl)-N2-[(3-methyl-2-pyridinyl)methyl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-Bromo-N4-(5-méthyl-1H-pyrazol-3-yl)-N2-[(3-méthyl-2-pyridinyl)méthyl]-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 619.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.5±34.3 °C
Index of Refraction: 1.728
Molar Refractivity: 93.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 48.33
ACD/KOC (pH 5.5): 532.22
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.21
ACD/KOC (pH 7.4): 629.96
Polar Surface Area: 91 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 75.2±3.0 dyne/cm
Molar Volume: 235.6±3.0 cm3

Click to predict properties on the Chemicalize site


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