ChemSpider 2D Image | N-(2-Bromophenyl)-6-[4-(1,5-dimethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]-2-(2-methoxyethyl)-4-pyrimidinamine | C22H28BrN7O

N-(2-Bromophenyl)-6-[4-(1,5-dimethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]-2-(2-methoxyethyl)-4-pyrimidinamine

  • Molecular FormulaC22H28BrN7O
  • Average mass486.408 Da
  • Monoisotopic mass485.153870 Da
  • ChemSpider ID121386545

More details:

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

4-Pyrimidinamine, N-(2-bromophenyl)-6-[4-(1,5-dimethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]-2-(2-methoxyethyl)- [ACD/Index Name]
N-(2-Bromophenyl)-6-[4-(1,5-dimethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]-2-(2-methoxyethyl)-4-pyrimidinamine [ACD/IUPAC Name]
N-(2-Bromophényl)-6-[4-(1,5-diméthyl-1H-1,2,4-triazol-3-yl)-1-pipéridinyl]-2-(2-méthoxyéthyl)-4-pyrimidinamine [French] [ACD/IUPAC Name]
N-(2-Bromphenyl)-6-[4-(1,5-dimethyl-1H-1,2,4-triazol-3-yl)-1-piperidinyl]-2-(2-methoxyethyl)-4-pyrimidinamin [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 650.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 347.4±34.3 °C
Index of Refraction: 1.674
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 11.56
ACD/KOC (pH 5.5): 61.41
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 382.86
ACD/KOC (pH 7.4): 2034.71
Polar Surface Area: 81 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 334.0±7.0 cm3

Click to predict properties on the Chemicalize site


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