ChemSpider 2D Image | 6-[3-(Dimethylamino)propyl]-5-(4-fluorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione | C19H23FN4O2

6-[3-(Dimethylamino)propyl]-5-(4-fluorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione

  • Molecular FormulaC19H23FN4O2
  • Average mass358.410 Da
  • Monoisotopic mass358.180511 Da
  • ChemSpider ID21916766

More details:

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

1H-Pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 6-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)-1,3-dimethyl- [ACD/Index Name]
6-[3-(Dimethylamino)propyl]-5-(4-fluorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione [ACD/IUPAC Name]
6-[3-(Diméthylamino)propyl]-5-(4-fluorophényl)-1,3-diméthyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione [French] [ACD/IUPAC Name]
6-[3-(Dimethylamino)propyl]-5-(4-fluorphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidin-2,4(3H,6H)-dion [German] [ACD/IUPAC Name]
1010882-99-1 [RN]
6-(3-Dimethylamino-propyl)-5-(4-fluoro-phenyl)-1,3-dimethyl-1,6-dihydro-pyrrolo[3,4-d]pyrimidine-2,4-dione
6-[3-(dimethylamino)propyl]-5-(4-fluorophenyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 503.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.2±3.0 kJ/mol
    Flash Point: 258.1±32.9 °C
    Index of Refraction: 1.599
    Molar Refractivity: 99.1±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.51
    ACD/LogD (pH 5.5): -0.35
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.95
    ACD/BCF (pH 7.4): 1.23
    ACD/KOC (pH 7.4): 13.47
    Polar Surface Area: 49 Å2
    Polarizability: 39.3±0.5 10-24cm3
    Surface Tension: 42.7±7.0 dyne/cm
    Molar Volume: 290.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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