ChemSpider 2D Image | 6-({5-Fluoro-2-[(4-hydroxy-3,5-dimethoxyphenyl)amino]-4-pyrimidinyl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one | C21H21FN6O5

6-({5-Fluoro-2-[(4-hydroxy-3,5-dimethoxyphenyl)amino]-4-pyrimidinyl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

  • Molecular FormulaC21H21FN6O5
  • Average mass456.427 Da
  • Monoisotopic mass456.155731 Da
  • ChemSpider ID77005974

More details:

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

2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 6-[[5-fluoro-2-[(4-hydroxy-3,5-dimethoxyphenyl)amino]-4-pyrimidinyl]amino]-2,2-dimethyl- [ACD/Index Name]
6-({5-Fluor-2-[(4-hydroxy-3,5-dimethoxyphenyl)amino]-4-pyrimidinyl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-on [German] [ACD/IUPAC Name]
6-({5-Fluoro-2-[(4-hydroxy-3,5-dimethoxyphenyl)amino]-4-pyrimidinyl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one [ACD/IUPAC Name]
6-({5-Fluoro-2-[(4-hydroxy-3,5-diméthoxyphényl)amino]-4-pyrimidinyl}amino)-2,2-diméthyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one [French] [ACD/IUPAC Name]
1294007-59-2 [RN]
6-((5-fluoro-2-((4-hydroxy-3,5-dimethoxyphenyl)amino)pyrimidin-4-yl)amino)-2,2-dimethyl-2h-pyrido[3,2-b][1,4]oxazin-3(4h)-one

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.647
    Molar Refractivity: 116.5±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 3.39
    ACD/LogD (pH 5.5): 2.96
    ACD/BCF (pH 5.5): 103.81
    ACD/KOC (pH 5.5): 965.09
    ACD/LogD (pH 7.4): 2.95
    ACD/BCF (pH 7.4): 103.37
    ACD/KOC (pH 7.4): 961.03
    Polar Surface Area: 140 Å2
    Polarizability: 46.2±0.5 10-24cm3
    Surface Tension: 64.8±3.0 dyne/cm
    Molar Volume: 320.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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