ChemSpider 2D Image | 1-(3-Fluorophenyl)-3-(4-{[6-(2-pyridinylamino)-4-pyrimidinyl]amino}phenyl)urea | C22H18FN7O

1-(3-Fluorophenyl)-3-(4-{[6-(2-pyridinylamino)-4-pyrimidinyl]amino}phenyl)urea

  • Molecular FormulaC22H18FN7O
  • Average mass415.423 Da
  • Monoisotopic mass415.155701 Da
  • ChemSpider ID58534613

More details:






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

1-(3-Fluorophenyl)-3-(4-{[6-(2-pyridinylamino)-4-pyrimidinyl]amino}phenyl)urea [ACD/IUPAC Name]
1-(3-Fluorophényl)-3-(4-{[6-(2-pyridinylamino)-4-pyrimidinyl]amino}phényl)urée [French] [ACD/IUPAC Name]
1-(3-Fluorphenyl)-3-(4-{[6-(2-pyridinylamino)-4-pyrimidinyl]amino}phenyl)harnstoff [German] [ACD/IUPAC Name]
Urea, N-(3-fluorophenyl)-N'-[4-[[6-(2-pyridinylamino)-4-pyrimidinyl]amino]phenyl]- [ACD/Index Name]
1-(3-fluorophenyl)-3-(4-((6-(pyridin-2-ylamino)pyrimidin-4-yl)amino)phenyl)urea

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 544.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 282.9±30.1 °C
Index of Refraction: 1.764
Molar Refractivity: 118.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 831.72
ACD/KOC (pH 5.5): 3705.99
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1369.04
ACD/KOC (pH 7.4): 6100.21
Polar Surface Area: 104 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 75.2±3.0 dyne/cm
Molar Volume: 285.8±3.0 cm3

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