ChemSpider 2D Image | Methyl 3-[2-(4-ethyl-1-piperazinyl)-4-methyl-5-pyrimidinyl]-3-oxopropanoate | C15H22N4O3

Methyl 3-[2-(4-ethyl-1-piperazinyl)-4-methyl-5-pyrimidinyl]-3-oxopropanoate

  • Molecular FormulaC15H22N4O3
  • Average mass306.360 Da
  • Monoisotopic mass306.169189 Da
  • ChemSpider ID28611790

More details:

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

1374509-49-5 [RN]
3-[2-(4-Éthyl-1-pipérazinyl)-4-méthyl-5-pyrimidinyl]-3-oxopropanoate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidinepropanoic acid, 2-(4-ethyl-1-piperazinyl)-4-methyl-β-oxo-, methyl ester [ACD/Index Name]
Methyl 3-[2-(4-ethyl-1-piperazinyl)-4-methyl-5-pyrimidinyl]-3-oxopropanoate [ACD/IUPAC Name]
methyl 3-[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-3-oxopropanoate
Methyl-3-[2-(4-ethyl-1-piperazinyl)-4-methyl-5-pyrimidinyl]-3-oxopropanoat [German] [ACD/IUPAC Name]
3-[2-(4-Ethyl-piperazin-1-yl)-4-methyl-pyrimidin-5-yl]-3-oxo-propionic acid methyl ester
Methyl 3-(2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl)-3-oxopropanoate
MFCD22374861 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 452.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.1±3.0 kJ/mol
    Flash Point: 227.3±31.5 °C
    Index of Refraction: 1.536
    Molar Refractivity: 81.4±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.61
    ACD/LogD (pH 5.5): -0.86
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.83
    ACD/BCF (pH 7.4): 1.91
    ACD/KOC (pH 7.4): 39.83
    Polar Surface Area: 76 Å2
    Polarizability: 32.3±0.5 10-24cm3
    Surface Tension: 47.6±3.0 dyne/cm
    Molar Volume: 261.1±3.0 cm3

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