ChemSpider 2D Image | 4-[4-(2,2-Dimethylpropyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-6-[4-(4-nitrophenyl)-1-piperazinyl]pyrimidine | C33H45N7O2

4-[4-(2,2-Dimethylpropyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-6-[4-(4-nitrophenyl)-1-piperazinyl]pyrimidine

  • Molecular FormulaC33H45N7O2
  • Average mass571.756 Da
  • Monoisotopic mass571.363464 Da
  • ChemSpider ID122001811

More details:

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

4-[4-(2,2-Dimethylpropyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-6-[4-(4-nitrophenyl)-1-piperazinyl]pyrimidin [German] [ACD/IUPAC Name]
4-[4-(2,2-Dimethylpropyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-6-[4-(4-nitrophenyl)-1-piperazinyl]pyrimidine [ACD/IUPAC Name]
4-[4-(2,2-Diméthylpropyl)-1-pipérazinyl]-2-[4-(2-méthyl-2-propanyl)phényl]-6-[4-(4-nitrophényl)-1-pipérazinyl]pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 2-[4-(1,1-dimethylethyl)phenyl]-4-[4-(2,2-dimethylpropyl)-1-piperazinyl]-6-[4-(4-nitrophenyl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 669.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.6±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 167.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.02
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 5.90
ACD/KOC (pH 5.5): 9.01
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 75.39
ACD/KOC (pH 7.4): 115.17
Polar Surface Area: 85 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 497.7±3.0 cm3

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