ChemSpider 2D Image | 4-(2-Fluorophenyl)-6-(tetrahydro-2-furanylmethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione | C17H18FN3O3

4-(2-Fluorophenyl)-6-(tetrahydro-2-furanylmethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione

  • Molecular FormulaC17H18FN3O3
  • Average mass331.341 Da
  • Monoisotopic mass331.133209 Da
  • ChemSpider ID21928838

More details:

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

1H-Pyrrolo[3,4-d]pyrimidine-2,5-dione, 4-(2-fluorophenyl)-3,4,6,7-tetrahydro-6-[(tetrahydro-2-furanyl)methyl]- [ACD/Index Name]
4-(2-Fluorophenyl)-6-(tetrahydro-2-furanylmethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione [ACD/IUPAC Name]
4-(2-Fluorophényl)-6-(tétrahydro-2-furanylméthyl)-3,4,6,7-tétrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione [French] [ACD/IUPAC Name]
4-(2-Fluorphenyl)-6-(tetrahydro-2-furanylmethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-2,5-dion [German] [ACD/IUPAC Name]
1021093-85-5 [RN]
4-(2-fluorophenyl)-6-((tetrahydrofuran-2-yl)methyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
4-(2-fluorophenyl)-6-(oxolan-2-ylmethyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
4-(2-fluorophenyl)-6-(tetrahydrofuran-2-ylmethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
4-(2-Fluoro-phenyl)-6-(tetrahydro-furan-2-ylmethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
4-(2-fluorophenyl)-6-[(oxolan-2-yl)methyl]-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 531.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.2±30.1 °C
Index of Refraction: 1.637
Molar Refractivity: 84.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 2.52
ACD/KOC (pH 5.5): 67.42
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.52
ACD/KOC (pH 7.4): 67.38
Polar Surface Area: 71 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 234.6±5.0 cm3

Click to predict properties on the Chemicalize site


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