ChemSpider 2D Image | N-Benzyl-6-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-N-isopropyl-2-(2-methyl-2-propanyl)-4-pyrimidinamine | C26H38N8

N-Benzyl-6-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-N-isopropyl-2-(2-methyl-2-propanyl)-4-pyrimidinamine

  • Molecular FormulaC26H38N8
  • Average mass462.634 Da
  • Monoisotopic mass462.321930 Da
  • ChemSpider ID121836820

More details:

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

4-Pyrimidinamine, 2-(1,1-dimethylethyl)-6-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-N-(1-methylethyl)-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-6-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-N-isopropyl-2-(2-methyl-2-propanyl)-4-pyrimidinamin [German] [ACD/IUPAC Name]
N-Benzyl-6-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-N-isopropyl-2-(2-methyl-2-propanyl)-4-pyrimidinamine [ACD/IUPAC Name]
N-Benzyl-6-[4-(4,5-diméthyl-4H-1,2,4-triazol-3-yl)-1-pipérazinyl]-N-isopropyl-2-(2-méthyl-2-propanyl)-4-pyrimidinamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 653.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.7±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 139.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.54
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 171.35
ACD/KOC (pH 7.4): 858.50
Polar Surface Area: 66 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 397.9±7.0 cm3

Click to predict properties on the Chemicalize site


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