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

4-(1,3-Dimethyl-1H-pyrazol-4-yl)-N-{1-[4-(1H-1,2,4-triazol-1-yl)phenyl]ethyl}-2-pyrimidinamine

  • Molecular FormulaC19H20N8
  • Average mass360.416 Da
  • Monoisotopic mass360.181091 Da
  • ChemSpider ID24832872

More details:






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

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 616.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.6±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: 1.82
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.06
ACD/KOC (pH 5.5): 387.64
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.20
ACD/KOC (pH 7.4): 389.56
Polar Surface Area: 86 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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