ChemSpider 2D Image | N-(2,5-Difluorophenyl)-6-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-2-propyl-4-pyrimidinamine | C21H26F2N8

N-(2,5-Difluorophenyl)-6-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-2-propyl-4-pyrimidinamine

  • Molecular FormulaC21H26F2N8
  • Average mass428.482 Da
  • Monoisotopic mass428.224854 Da
  • ChemSpider ID121486285

More details:

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

4-Pyrimidinamine, N-(2,5-difluorophenyl)-6-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-2-propyl- [ACD/Index Name]
N-(2,5-Difluorophenyl)-6-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-2-propyl-4-pyrimidinamine [ACD/IUPAC Name]
N-(2,5-Difluorophényl)-6-[4-(4,5-diméthyl-4H-1,2,4-triazol-3-yl)-1-pipérazinyl]-2-propyl-4-pyrimidinamine [French] [ACD/IUPAC Name]
N-(2,5-Difluorphenyl)-6-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-2-propyl-4-pyrimidinamin [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 593.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.8±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 115.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.60
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 82.20
ACD/KOC (pH 7.4): 622.22
Polar Surface Area: 75 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 315.5±7.0 cm3

Click to predict properties on the Chemicalize site


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