ChemSpider 2D Image | 4-Amino-2-{4-[4-(1H-imidazol-1-yl)benzyl]-1-piperazinyl}-5-pyrimidinecarbonitrile | C19H20N8

4-Amino-2-{4-[4-(1H-imidazol-1-yl)benzyl]-1-piperazinyl}-5-pyrimidinecarbonitrile

  • Molecular FormulaC19H20N8
  • Average mass360.416 Da
  • Monoisotopic mass360.181091 Da
  • ChemSpider ID29571657

More details:






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

4-Amino-2-{4-[4-(1H-imidazol-1-yl)benzyl]-1-piperazinyl}-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
4-Amino-2-{4-[4-(1H-imidazol-1-yl)benzyl]-1-piperazinyl}-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
4-Amino-2-{4-[4-(1H-imidazol-1-yl)benzyl]-1-pipérazinyl}-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 4-amino-2-[4-[[4-(1H-imidazol-1-yl)phenyl]methyl]-1-piperazinyl]- [ACD/Index Name]
4-AMINO-2-(4-{[4-(1H-IMIDAZOL-1-YL)PHENYL]METHYL}PIPERAZIN-1-YL)PYRIMIDINE-5-CARBONITRILE
4-AMINO-2-(4-{[4-(IMIDAZOL-1-YL)PHENYL]METHYL}PIPERAZIN-1-YL)PYRIMIDINE-5-CARBONITRILE
4-amino-2-{4-[4-(1H-imidazol-1-yl)benzyl]piperazin-1-yl}pyrimidine-5-carbonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 643.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.2±34.3 °C
Index of Refraction: 1.723
Molar Refractivity: 104.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 2.89
ACD/KOC (pH 5.5): 45.19
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.19
ACD/KOC (pH 7.4): 252.75
Polar Surface Area: 100 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 264.4±7.0 cm3

Click to predict properties on the Chemicalize site






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