ChemSpider 2D Image | N,N-Dimethyl-5-(1-{4-[(3-methyl-1H-1,2,4-triazol-5-yl)methyl]phenyl}-1H-imidazol-2-yl)-2-pyrimidinamine | C19H20N8

N,N-Dimethyl-5-(1-{4-[(3-methyl-1H-1,2,4-triazol-5-yl)methyl]phenyl}-1H-imidazol-2-yl)-2-pyrimidinamine

  • Molecular FormulaC19H20N8
  • Average mass360.416 Da
  • Monoisotopic mass360.181091 Da
  • ChemSpider ID29614011

More details:






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

2-Pyrimidinamine, N,N-dimethyl-5-[1-[4-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]phenyl]-1H-imidazol-2-yl]- [ACD/Index Name]
N,N-Dimethyl-5-(1-{4-[(3-methyl-1H-1,2,4-triazol-5-yl)methyl]phenyl}-1H-imidazol-2-yl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
N,N-Dimethyl-5-(1-{4-[(3-methyl-1H-1,2,4-triazol-5-yl)methyl]phenyl}-1H-imidazol-2-yl)-2-pyrimidinamine [ACD/IUPAC Name]
N,N-Diméthyl-5-(1-{4-[(3-méthyl-1H-1,2,4-triazol-5-yl)méthyl]phényl}-1H-imidazol-2-yl)-2-pyrimidinamine [French] [ACD/IUPAC Name]
N,N-dimethyl-5-(1-{4-[(5-methyl-4H-1,2,4-triazol-3-yl)methyl]phenyl}-1H-imidazol-2-yl)pyrimidin-2-amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 678.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.9±34.3 °C
Index of Refraction: 1.706
Molar Refractivity: 105.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.22
ACD/KOC (pH 5.5): 388.06
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.63
ACD/KOC (pH 7.4): 393.55
Polar Surface Area: 88 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 271.5±7.0 cm3

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