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

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

  • Molecular FormulaC26H38N8
  • Average mass462.634 Da
  • Monoisotopic mass462.321930 Da
  • ChemSpider ID121470822

More details:

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

4-Pyrimidinamine, 2-(1,1-dimethylethyl)-N-[3-(1,1-dimethylethyl)phenyl]-6-[4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]- [ACD/Index Name]
6-[4-(4,5-Dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-2-(2-methyl-2-propanyl)-N-[3-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
6-[4-(4,5-Dimethyl-4H-1,2,4-triazol-3-yl)-1-piperazinyl]-2-(2-methyl-2-propanyl)-N-[3-(2-methyl-2-propanyl)phenyl]-4-pyrimidinamine [ACD/IUPAC Name]
6-[4-(4,5-Diméthyl-4H-1,2,4-triazol-3-yl)-1-pipérazinyl]-2-(2-méthyl-2-propanyl)-N-[3-(2-méthyl-2-propanyl)phényl]-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: 633.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.2±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 138.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 2.00
ACD/KOC (pH 5.5): 8.41
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 447.48
ACD/KOC (pH 7.4): 1885.16
Polar Surface Area: 75 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 42.1±7.0 dyne/cm
Molar Volume: 396.4±7.0 cm3

Click to predict properties on the Chemicalize site


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