ChemSpider 2D Image | 3-(2-Fluorobenzyl)-1,9-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione | C17H18FN5O2

3-(2-Fluorobenzyl)-1,9-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione

  • Molecular FormulaC17H18FN5O2
  • Average mass343.355 Da
  • Monoisotopic mass343.144440 Da
  • ChemSpider ID17824675

More details:

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

3-(2-Fluorbenzyl)-1,9-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purin-2,4(1H,3H)-dion [German] [ACD/IUPAC Name]
3-(2-Fluorobenzyl)-1,9-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione [ACD/IUPAC Name]
3-(2-Fluorobenzyl)-1,9-diméthyl-6,7,8,9-tétrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione [French] [ACD/IUPAC Name]
Pyrimido[2,1-f]purine-2,4(1H,3H)-dione, 3-[(2-fluorophenyl)methyl]-6,7,8,9-tetrahydro-1,9-dimethyl- [ACD/Index Name]
3-[(2-fluorophenyl)methyl]-1,9-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
3-[(2-fluorophenyl)methyl]-1,9-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
903849-96-7 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 550.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.1±3.0 kJ/mol
    Flash Point: 286.8±32.9 °C
    Index of Refraction: 1.697
    Molar Refractivity: 90.8±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.86
    ACD/LogD (pH 5.5): 2.54
    ACD/BCF (pH 5.5): 46.33
    ACD/KOC (pH 5.5): 496.59
    ACD/LogD (pH 7.4): 2.67
    ACD/BCF (pH 7.4): 62.78
    ACD/KOC (pH 7.4): 672.91
    Polar Surface Area: 62 Å2
    Polarizability: 36.0±0.5 10-24cm3
    Surface Tension: 55.8±7.0 dyne/cm
    Molar Volume: 235.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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