ChemSpider 2D Image | 2,4-Diamino-6-({(1S)-1-[6-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxo-3,4-dihydro-2-quinazolinyl]ethyl}amino)-5-pyrimidinecarbonitrile | C21H17F2N9O

2,4-Diamino-6-({(1S)-1-[6-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxo-3,4-dihydro-2-quinazolinyl]ethyl}amino)-5-pyrimidinecarbonitrile

  • Molecular FormulaC21H17F2N9O
  • Average mass449.416 Da
  • Monoisotopic mass449.152405 Da
  • ChemSpider ID76774398

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,4-Diamino-6-({(1S)-1-[6-fluor-3-(5-fluor-4-methyl-3-pyridinyl)-4-oxo-3,4-dihydro-2-chinazolinyl]ethyl}amino)-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
2,4-Diamino-6-({(1S)-1-[6-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-4-oxo-3,4-dihydro-2-quinazolinyl]ethyl}amino)-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
2,4-Diamino-6-({(1S)-1-[6-fluoro-3-(5-fluoro-4-méthyl-3-pyridinyl)-4-oxo-3,4-dihydro-2-quinazolinyl]éthyl}amino)-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 2,4-diamino-6-[[(1S)-1-[6-fluoro-3-(5-fluoro-4-methyl-3-pyridinyl)-3,4-dihydro-4-oxo-2-quinazolinyl]ethyl]amino]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 813.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 445.5±37.1 °C
Index of Refraction: 1.744
Molar Refractivity: 114.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.46
ACD/KOC (pH 5.5): 144.07
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.93
ACD/KOC (pH 7.4): 153.16
Polar Surface Area: 159 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 61.8±7.0 dyne/cm
Molar Volume: 282.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement