ChemSpider 2D Image | 4-(isobutylamino)-2-(methylthio)pyrimidine-5-carboxylic acid | C10H15N3O2S

4-(isobutylamino)-2-(methylthio)pyrimidine-5-carboxylic acid

  • Molecular FormulaC10H15N3O2S
  • Average mass241.310 Da
  • Monoisotopic mass241.088501 Da
  • ChemSpider ID21379599

More details:

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

1015856-38-8 [RN]
4-(isobutylamino)-2-(methylthio)pyrimidine-5-carboxylic acid
4-(isobutylamino)-2-(methylthio)pyrimidine-5-carboxylic acid???WS204205???
4-[(2-METHYLPROPYL)AMINO]-2-(METHYLSULFANYL)PYRIMIDINE-5-CARBOXYLIC ACID
6-(isobutylimino)-2-(methylthio)-1,6-dihydropyrimidine-5-carboxylic acid
95%
MFCD09998272

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 436.3±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.0±3.0 kJ/mol
    Flash Point: 217.7±24.6 °C
    Index of Refraction: 1.580
    Molar Refractivity: 63.4±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.71
    ACD/LogD (pH 5.5): 1.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.52
    ACD/LogD (pH 7.4): 0.48
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.63
    Polar Surface Area: 100 Å2
    Polarizability: 25.1±0.5 10-24cm3
    Surface Tension: 60.9±5.0 dyne/cm
    Molar Volume: 190.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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