ChemSpider 2D Image | 2-(4-Benzyl-1-piperidinyl)-4'-methyl-2'-(4-methyl-1-piperazinyl)-4,5'-bipyrimidin-6(1H)-one | C26H33N7O

2-(4-Benzyl-1-piperidinyl)-4'-methyl-2'-(4-methyl-1-piperazinyl)-4,5'-bipyrimidin-6(1H)-one

  • Molecular FormulaC26H33N7O
  • Average mass459.586 Da
  • Monoisotopic mass459.274658 Da
  • ChemSpider ID23483214

More details:

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

[4,5'-Bipyrimidin]-6(1H)-one, 4'-methyl-2'-(4-methyl-1-piperazinyl)-2-[4-(phenylmethyl)-1-piperidinyl]- [ACD/Index Name]
2-(4-Benzyl-1-piperidinyl)-4'-methyl-2'-(4-methyl-1-piperazinyl)-4,5'-bipyrimidin-6(1H)-on [German] [ACD/IUPAC Name]
2-(4-Benzyl-1-piperidinyl)-4'-methyl-2'-(4-methyl-1-piperazinyl)-4,5'-bipyrimidin-6(1H)-one [ACD/IUPAC Name]
2-(4-Benzyl-1-pipéridinyl)-4'-méthyl-2'-(4-méthyl-1-pipérazinyl)-4,5'-bipyrimidin-6(1H)-one [French] [ACD/IUPAC Name]
1192805-90-5 [RN]
2-(4-Benzyl-piperidin-1-yl)-4'-methyl-2'-(4-methyl-piperazin-1-yl)-1H-[4,5']bipyrimidinyl-6-one
2-(4-benzylpiperidin-1-yl)-4'-methyl-2'-(4-methylpiperazin-1-yl)-4,5'-bipyrimidin-6(1H)-one
2-(4-benzylpiperidin-1-yl)-6-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-1H-pyrimidin-4-one

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.681
    Molar Refractivity: 134.2±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.52
    ACD/LogD (pH 5.5): 0.96
    ACD/BCF (pH 5.5): 1.22
    ACD/KOC (pH 5.5): 12.88
    ACD/LogD (pH 7.4): 2.48
    ACD/BCF (pH 7.4): 40.47
    ACD/KOC (pH 7.4): 428.85
    Polar Surface Area: 77 Å2
    Polarizability: 53.2±0.5 10-24cm3
    Surface Tension: 52.7±7.0 dyne/cm
    Molar Volume: 354.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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