ChemSpider 2D Image | 5-Fluoro-4-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethoxy]-N-(5-Methyl-1h-Pyrazol-3-Yl)-6-Morpholino-Pyrimidin-2-Amine | C18H20F2N8O2

5-Fluoro-4-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethoxy]-N-(5-Methyl-1h-Pyrazol-3-Yl)-6-Morpholino-Pyrimidin-2-Amine

  • Molecular FormulaC18H20F2N8O2
  • Average mass418.401 Da
  • Monoisotopic mass418.167725 Da
  • ChemSpider ID30815724

  • 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-pyrimidinyl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-(4-morpholinyl)- [ACD/Index Name]
5-Fluor-4-[(1S)-1-(5-fluor-2-pyrimidinyl)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-pyrimidinyl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)-6-(4-morpholinyl)-2-pyrimidinamine [ACD/IUPAC Name]
5-Fluoro-4-[(1S)-1-(5-fluoro-2-pyrimidinyl)éthoxy]-N-(5-méthyl-1H-pyrazol-3-yl)-6-(4-morpholinyl)-2-pyrimidinamine [French] [ACD/IUPAC Name]
5-Fluoro-4-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethoxy]-N-(5-Methyl-1h-Pyrazol-3-Yl)-6-Morpholino-Pyrimidin-2-Amine
F9J

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

Density: 1.4±0.1 g/cm3
Boiling Point: 679.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.9±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 102.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.39
ACD/KOC (pH 5.5): 131.08
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.42
ACD/KOC (pH 7.4): 131.59
Polar Surface Area: 114 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 71.8±3.0 dyne/cm
Molar Volume: 289.9±3.0 cm3

Click to predict properties on the Chemicalize site


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