ChemSpider 2D Image | 5-[(4-Ethyl-1-piperazinyl)methyl]-N-[5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzimidazol-6-yl)-2-pyridinyl]-2-pyrimidinamine | C27H32F2N8

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

  • Molecular FormulaC27H32F2N8
  • Average mass506.593 Da
  • Monoisotopic mass506.271790 Da
  • ChemSpider ID75533964

More details:

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

1800506-48-2 [RN]
2-Pyrimidinamine, 5-[(4-ethyl-1-piperazinyl)methyl]-N-[5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]-2-pyridinyl]- [ACD/Index Name]
5-[(4-Ethyl-1-piperazinyl)methyl]-N-[5-fluor-4-(4-fluor-1-isopropyl-2-methyl-1H-benzimidazol-6-yl)-2-pyridinyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-[(4-Ethyl-1-piperazinyl)methyl]-N-[5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzimidazol-6-yl)-2-pyridinyl]-2-pyrimidinamine [ACD/IUPAC Name]
5-[(4-Éthyl-1-pipérazinyl)méthyl]-N-[5-fluoro-4-(4-fluoro-1-isopropyl-2-méthyl-1H-benzimidazol-6-yl)-2-pyridinyl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-1,3-benzodiazol-5-yl)pyridin-2-yl]pyrimidin-2-amine
5-[(4-ethylpiperazin-1-yl)methyl]-N-{5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-1,3-benzodiazol-6-yl]pyridin-2-yl}pyrimidin-2-amine
5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-yl]pyrimidin-2-amine
CDK4/6-IN-2

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

Density: 1.3±0.1 g/cm3
Boiling Point: 665.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 356.1±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: 3.23
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 1.51
ACD/KOC (pH 5.5): 11.93
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 68.75
ACD/KOC (pH 7.4): 543.40
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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