ChemSpider 2D Image | 2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one | C17H19N5O2S

2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one

  • Molecular FormulaC17H19N5O2S
  • Average mass357.430 Da
  • Monoisotopic mass357.125946 Da
  • ChemSpider ID28535321

More details:

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

2-Allyl-1-(6-(2-hydroxypropan-2-yl)pyridin-2-yl)-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one
2-Allyl-1-[6-(2-hydroxy-2-propanyl)-2-pyridinyl]-6-(methylsulfanyl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-on [German] [ACD/IUPAC Name]
2-Allyl-1-[6-(2-hydroxy-2-propanyl)-2-pyridinyl]-6-(methylsulfanyl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one [ACD/IUPAC Name]
2-Allyl-1-[6-(2-hydroxy-2-propanyl)-2-pyridinyl]-6-(méthylsulfanyl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one [French] [ACD/IUPAC Name]
3H-Pyrazolo[3,4-d]pyrimidin-3-one, 1,2-dihydro-1-[6-(1-hydroxy-1-methylethyl)-2-pyridinyl]-6-(methylthio)-2-(2-propen-1-yl)- [ACD/Index Name]
955369-56-9 [RN]
[955369-56-9] [RN]
1-[6-(2-Hydroxypropan-2-yl)pyridin-2-yl]-6-(methylsulfanyl)-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-(methylsulfanyl)-2-(prop-2-en-1-yl)-1H,2H,3H-pyrazolo[3,4-d]pyrimidin-3-one
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-(methylsulfanyl)-2-(prop-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 565.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.4±3.0 kJ/mol
    Flash Point: 295.9±32.9 °C
    Index of Refraction: 1.682
    Molar Refractivity: 97.0±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.01
    ACD/LogD (pH 5.5): 1.01
    ACD/BCF (pH 5.5): 3.44
    ACD/KOC (pH 5.5): 84.25
    ACD/LogD (pH 7.4): 1.01
    ACD/BCF (pH 7.4): 3.44
    ACD/KOC (pH 7.4): 84.27
    Polar Surface Area: 108 Å2
    Polarizability: 38.5±0.5 10-24cm3
    Surface Tension: 78.3±5.0 dyne/cm
    Molar Volume: 256.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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