ChemSpider 2D Image | 5-Fluoro-4-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-(4-morpholinyl)-2-pyrimidinamine | C19H21F2N7O2

5-Fluoro-4-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-(4-morpholinyl)-2-pyrimidinamine

  • Molecular FormulaC19H21F2N7O2
  • Average mass417.413 Da
  • Monoisotopic mass417.172485 Da
  • ChemSpider ID30815726

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyrimidinamine, 5-fluoro-4-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-(4-morpholinyl)- [ACD/Index Name]
5-Fluor-4-[(1S)-1-(5-fluor-2-pyridinyl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-(4-morpholinyl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-Fluoro-4-[(1S)-1-(5-fluoro-2-pyridinyl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-(4-morpholinyl)-2-pyrimidinamine [ACD/IUPAC Name]
5-Fluoro-4-[(1S)-1-(5-fluoro-2-pyridinyl)éthoxy]-N-(5-méthyl-1H-pyrazol-3-yl)-6-(4-morpholinyl)-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: 658.0±65.0 °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±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 104.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.80
ACD/KOC (pH 5.5): 365.65
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 26.98
ACD/KOC (pH 7.4): 368.10
Polar Surface Area: 101 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 296.7±3.0 cm3

Click to predict properties on the Chemicalize site


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