ChemSpider 2D Image | 5-{[5-(Difluoromethoxy)-2-pyrimidinyl]oxy}-N-{4-[(2R)-2-morpholinyl]phenyl}-2-pyrimidinamine | C19H18F2N6O3

5-{[5-(Difluoromethoxy)-2-pyrimidinyl]oxy}-N-{4-[(2R)-2-morpholinyl]phenyl}-2-pyrimidinamine

  • Molecular FormulaC19H18F2N6O3
  • Average mass416.381 Da
  • Monoisotopic mass416.140839 Da
  • ChemSpider ID58894550

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyrimidinamine, 5-[[5-(difluoromethoxy)-2-pyrimidinyl]oxy]-N-[4-[(2R)-2-morpholinyl]phenyl]- [ACD/Index Name]
5-{[5-(Difluormethoxy)-2-pyrimidinyl]oxy}-N-{4-[(2R)-2-morpholinyl]phenyl}-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-{[5-(Difluoromethoxy)-2-pyrimidinyl]oxy}-N-{4-[(2R)-2-morpholinyl]phenyl}-2-pyrimidinamine [ACD/IUPAC Name]
5-{[5-(Difluorométhoxy)-2-pyrimidinyl]oxy}-N-{4-[(2R)-2-morpholinyl]phényl}-2-pyrimidinamine [French] [ACD/IUPAC 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: 630.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 335.1±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 103.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.05
Polar Surface Area: 103 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 302.5±3.0 cm3

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