ChemSpider 2D Image | 5-{2-[(6-{[2-(Dimethylamino)ethyl]amino}-3-pyridinyl)amino]-4-pyrimidinyl}-2-[(3S)-3-fluoro-1-pyrrolidinyl]benzonitrile | C24H27FN8

5-{2-[(6-{[2-(Dimethylamino)ethyl]amino}-3-pyridinyl)amino]-4-pyrimidinyl}-2-[(3S)-3-fluoro-1-pyrrolidinyl]benzonitrile

  • Molecular FormulaC24H27FN8
  • Average mass446.523 Da
  • Monoisotopic mass446.234283 Da
  • ChemSpider ID58904656

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

5-{2-[(6-{[2-(Dimethylamino)ethyl]amino}-3-pyridinyl)amino]-4-pyrimidinyl}-2-[(3S)-3-fluor-1-pyrrolidinyl]benzonitril [German] [ACD/IUPAC Name]
5-{2-[(6-{[2-(Dimethylamino)ethyl]amino}-3-pyridinyl)amino]-4-pyrimidinyl}-2-[(3S)-3-fluoro-1-pyrrolidinyl]benzonitrile [ACD/IUPAC Name]
5-{2-[(6-{[2-(Diméthylamino)éthyl]amino}-3-pyridinyl)amino]-4-pyrimidinyl}-2-[(3S)-3-fluoro-1-pyrrolidinyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 5-[2-[[6-[[2-(dimethylamino)ethyl]amino]-3-pyridinyl]amino]-4-pyrimidinyl]-2-[(3S)-3-fluoro-1-pyrrolidinyl]- [ACD/Index 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: 698.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.3±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 124.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.14
Polar Surface Area: 93 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 70.2±5.0 dyne/cm
Molar Volume: 341.1±5.0 cm3

Click to predict properties on the Chemicalize site


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