ChemSpider 2D Image | (8S)-9-(2-Isopropoxyethyl)-2-(4-morpholinyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one | C17H25F3N4O3

(8S)-9-(2-Isopropoxyethyl)-2-(4-morpholinyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one

  • Molecular FormulaC17H25F3N4O3
  • Average mass390.401 Da
  • Monoisotopic mass390.187866 Da
  • ChemSpider ID35034301

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(8s)-2-(Morpholin-4-Yl)-9-[2-(Propan-2-Yloxy)ethyl]-8-(Trifluoromethyl)-6,7,8,9-Tetrahydro-4h-Pyrimido[1,2-A]pyrimidin-4-One
(8S)-9-(2-Isopropoxyethyl)-2-(4-morpholinyl)-8-(trifluormethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
(8S)-9-(2-Isopropoxyethyl)-2-(4-morpholinyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
(8S)-9-(2-Isopropoxyéthyl)-2-(4-morpholinyl)-8-(trifluorométhyl)-6,7,8,9-tétrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrimido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro-9-[2-(1-methylethoxy)ethyl]-2-(4-morpholinyl)-8-(trifluoromethyl)-, (8S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4470174/
RBQ

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

Density: 1.4±0.1 g/cm3
Boiling Point: 447.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 224.4±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 91.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.55
ACD/KOC (pH 5.5): 103.01
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.55
ACD/KOC (pH 7.4): 103.01
Polar Surface Area: 58 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 280.3±7.0 cm3

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