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Search term: JQPAIKDXQCXSKJ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [1-{4-[6-Amino-4-(trifluoromethyl)-3-pyridinyl]-6-(4-morpholinyl)-2-pyrimidinyl}-3-(chloromethyl)-3-azetidinyl]methanol | C19H22ClF3N6O2

[1-{4-[6-Amino-4-(trifluoromethyl)-3-pyridinyl]-6-(4-morpholinyl)-2-pyrimidinyl}-3-(chloromethyl)-3-azetidinyl]methanol

  • Molecular FormulaC19H22ClF3N6O2
  • Average mass458.865 Da
  • Monoisotopic mass458.144501 Da
  • ChemSpider ID59052243

More details:

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

[1-{4-[6-Amino-4-(trifluormethyl)-3-pyridinyl]-6-(4-morpholinyl)-2-pyrimidinyl}-3-(chlormethyl)-3-azetidinyl]methanol [German] [ACD/IUPAC Name]
[1-{4-[6-Amino-4-(trifluoromethyl)-3-pyridinyl]-6-(4-morpholinyl)-2-pyrimidinyl}-3-(chloromethyl)-3-azetidinyl]methanol [ACD/IUPAC Name]
[1-{4-[6-Amino-4-(trifluorométhyl)-3-pyridinyl]-6-(4-morpholinyl)-2-pyrimidinyl}-3-(chlorométhyl)-3-azétidinyl]méthanol [French] [ACD/IUPAC Name]
3-Azetidinemethanol, 1-[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-(4-morpholinyl)-2-pyrimidinyl]-3-(chloromethyl)- [ACD/Index Name]
[1-{4-[6-Amino-4-(Trifluoromethyl)pyridin-3-Yl]-6-(Morpholin-4-Yl)pyrimidin-2-Yl}-3-(Chloromethyl)azetidin-3-Yl]methanol
6K7

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

Density: 1.4±0.1 g/cm3
Boiling Point: 693.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 373.0±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 21.99
ACD/KOC (pH 5.5): 286.71
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.49
ACD/KOC (pH 7.4): 410.50
Polar Surface Area: 101 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 319.7±3.0 cm3

Click to predict properties on the Chemicalize site


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