ChemSpider 2D Image | (S)-1-(3-methyl-2-oxobutyl)-8-((R)-3-methylmorpholino)-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one | C18H25F3N4O3

(S)-1-(3-methyl-2-oxobutyl)-8-((R)-3-methylmorpholino)-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one

  • Molecular FormulaC18H25F3N4O3
  • Average mass402.411 Da
  • Monoisotopic mass402.187866 Da
  • ChemSpider ID35035606

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8S)-2-[(3R)-3-Methyl-4-morpholinyl]-9-(3-methyl-2-oxobutyl)-8-(trifluormethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-on [German] [ACD/IUPAC Name]
(8S)-2-[(3R)-3-Methyl-4-morpholinyl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one [ACD/IUPAC Name]
(8S)-2-[(3R)-3-Méthyl-4-morpholinyl]-9-(3-méthyl-2-oxobutyl)-8-(trifluorométhyl)-6,7,8,9-tétrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one [French] [ACD/IUPAC Name]
(8s)-2-[(3r)-3-Methylmorpholin-4-Yl]-9-(3-Methyl-2-Oxobutyl)-8-(Trifluoromethyl)-6,7,8,9-Tetrahydro-4h-Pyrimido[1,2-A]pyrimidin-4-One
(S)-1-(3-methyl-2-oxobutyl)-8-((R)-3-methylmorpholino)-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one
1523404-29-6 [RN]
4H-Pyrimido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro-2-[(3R)-3-methyl-4-morpholinyl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-, (8S)- [ACD/Index Name]
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
(S)-9-(3-methyl-2-oxobutyl)-2-((R)-3-methylmorpholino)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
7A5
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 466.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 72.8±3.0 kJ/mol
    Flash Point: 235.9±31.5 °C
    Index of Refraction: 1.581
    Molar Refractivity: 95.5±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.73
    ACD/LogD (pH 5.5): 1.32
    ACD/BCF (pH 5.5): 5.95
    ACD/KOC (pH 5.5): 124.74
    ACD/LogD (pH 7.4): 1.32
    ACD/BCF (pH 7.4): 5.95
    ACD/KOC (pH 7.4): 124.74
    Polar Surface Area: 65 Å2
    Polarizability: 37.8±0.5 10-24cm3
    Surface Tension: 42.4±7.0 dyne/cm
    Molar Volume: 286.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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