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

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

  • Molecular FormulaC15H16BrN7
  • Average mass374.238 Da
  • Monoisotopic mass373.065063 Da
  • ChemSpider ID28525947

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-[2-(3-pyridinyl)ethyl]- [ACD/Index Name]
5-Brom-N4-(5-methyl-1H-pyrazol-3-yl)-N2-[2-(3-pyridinyl)ethyl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-Bromo-N4-(3-Methyl-1h-Pyrazol-5-Yl)-N2-[2-(Pyridin-3-Yl)ethyl]pyrimidine-2,4-Diamine
5-Bromo-N4-(5-methyl-1H-pyrazol-3-yl)-N2-[2-(3-pyridinyl)ethyl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-Bromo-N4-(5-méthyl-1H-pyrazol-3-yl)-N2-[2-(3-pyridinyl)éthyl]-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
0S7
10.1021/jm3004043

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 625.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 331.9±34.3 °C
Index of Refraction: 1.725
Molar Refractivity: 93.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 40.58
ACD/KOC (pH 5.5): 431.12
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 64.55
ACD/KOC (pH 7.4): 685.80
Polar Surface Area: 91 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 75.8±3.0 dyne/cm
Molar Volume: 235.8±3.0 cm3

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