ChemSpider 2D Image | 4-Amino-6-({1-[6-fluoro-3-(2-pyridinyl)-2-quinolinyl]ethyl}amino)-5-pyrimidinecarbonitrile | C21H16FN7

4-Amino-6-({1-[6-fluoro-3-(2-pyridinyl)-2-quinolinyl]ethyl}amino)-5-pyrimidinecarbonitrile

  • Molecular FormulaC21H16FN7
  • Average mass385.397 Da
  • Monoisotopic mass385.145111 Da
  • ChemSpider ID58988625

More details:

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

4-Amino-6-({1-[6-fluor-3-(2-pyridinyl)-2-chinolinyl]ethyl}amino)-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
4-Amino-6-({1-[6-fluoro-3-(2-pyridinyl)-2-quinoléinyl]éthyl}amino)-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
4-Amino-6-({1-[6-fluoro-3-(2-pyridinyl)-2-quinolinyl]ethyl}amino)-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 4-amino-6-[[1-[6-fluoro-3-(2-pyridinyl)-2-quinolinyl]ethyl]amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 658.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 351.8±31.5 °C
Index of Refraction: 1.707
Molar Refractivity: 106.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.95
ACD/KOC (pH 5.5): 756.75
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 74.22
ACD/KOC (pH 7.4): 759.48
Polar Surface Area: 113 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 84.6±5.0 dyne/cm
Molar Volume: 272.3±5.0 cm3

Click to predict properties on the Chemicalize site


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