ChemSpider 2D Image | 5-Benzyl-2-[(4-fluorophenyl)amino]-6-methyl-4(1H)-pyrimidinone | C18H16FN3O

5-Benzyl-2-[(4-fluorophenyl)amino]-6-methyl-4(1H)-pyrimidinone

  • Molecular FormulaC18H16FN3O
  • Average mass309.337 Da
  • Monoisotopic mass309.127747 Da
  • ChemSpider ID25218382

More details:

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

1306739-76-3 [RN]
4(3H)-Pyrimidinone, 2-[(4-fluorophenyl)amino]-6-methyl-5-(phenylmethyl)- [ACD/Index Name]
5-benzyl-2-[(4-fluorophenyl)amino]-6-methyl-3,4-dihydropyrimidin-4-one
5-Benzyl-2-[(4-fluorophenyl)amino]-6-methyl-4(1H)-pyrimidinone [ACD/IUPAC Name]
5-Benzyl-2-[(4-fluorophényl)amino]-6-méthyl-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
5-Benzyl-2-[(4-fluorphenyl)amino]-6-methyl-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4(3H)-pyrimidinone, 2-[(4-fluorophenyl)amino]-6-methyl-5-(phenylmethyl)
5-Benzyl-2-((4-fluorophenyl)amino)-6-methylpyrimidin-4(3H)-one
5-benzyl-2-(4-fluoroanilino)-6-methyl-1H-pyrimidin-4-one
5-benzyl-2-(4-fluoroanilino)-6-methyl-4(3H)-pyrimidinone
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.617
    Molar Refractivity: 87.6±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.16
    ACD/LogD (pH 5.5): 3.30
    ACD/BCF (pH 5.5): 187.76
    ACD/KOC (pH 5.5): 1474.01
    ACD/LogD (pH 7.4): 3.29
    ACD/BCF (pH 7.4): 187.22
    ACD/KOC (pH 7.4): 1469.77
    Polar Surface Area: 53 Å2
    Polarizability: 34.7±0.5 10-24cm3
    Surface Tension: 43.5±7.0 dyne/cm
    Molar Volume: 250.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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