ChemSpider 2D Image | N-(5-{[4-(~2~H_5_)Ethyl-1-piperazinyl]methyl}-2-pyridinyl)-5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzimidazol-6-yl)-2-pyrimidinamine | C27H27D5F2N8

N-(5-{[4-(2H5)Ethyl-1-piperazinyl]methyl}-2-pyridinyl)-5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzimidazol-6-yl)-2-pyrimidinamine

  • Molecular FormulaC27H27D5F2N8
  • Average mass511.624 Da
  • Monoisotopic mass511.303192 Da
  • ChemSpider ID127435592

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Pyrimidinamine, N-[5-[[4-(ethyl-d5)-1-piperazinyl]methyl]-2-pyridinyl]-5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]- [ACD/Index Name]
N-(5-{[4-(2H5)Ethyl-1-piperazinyl]methyl}-2-pyridinyl)-5-fluor-4-(4-fluor-1-isopropyl-2-methyl-1H-benzimidazol-6-yl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
N-(5-{[4-(2H5)Ethyl-1-piperazinyl]methyl}-2-pyridinyl)-5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzimidazol-6-yl)-2-pyrimidinamine [ACD/IUPAC Name]
N-(5-{[4-(2H5)Éthyl-1-pipérazinyl]méthyl}-2-pyridinyl)-5-fluoro-4-(4-fluoro-1-isopropyl-2-méthyl-1H-benzimidazol-6-yl)-2-pyrimidinamine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 689.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.7±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 140.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.61
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 39.26
ACD/KOC (pH 7.4): 356.51
Polar Surface Area: 75 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 382.3±7.0 cm3

Click to predict properties on the Chemicalize site


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