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

5-(4-Fluorophenyl)-6-(3-hydroxypropyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione

  • Molecular FormulaC17H18FN3O3
  • Average mass331.341 Da
  • Monoisotopic mass331.133209 Da
  • ChemSpider ID21665467

More details:






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

1H-Pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione, 5-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-dimethyl- [ACD/Index Name]
5-(4-Fluorophenyl)-6-(3-hydroxypropyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione [ACD/IUPAC Name]
5-(4-Fluorophényl)-6-(3-hydroxypropyl)-1,3-diméthyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione [French] [ACD/IUPAC Name]
5-(4-Fluorphenyl)-6-(3-hydroxypropyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidin-2,4(3H,6H)-dion [German] [ACD/IUPAC Name]
5-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-dimethyl-1,3-dihydropyrrolo[3,4-d]pyrimidine-2,4-dione
5-(4-Fluoro-phenyl)-6-(3-hydroxy-propyl)-1,3-dimethyl-1,6-dihydro-pyrrolo[3,4-d]pyrimidine-2,4-dione
5-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione
924851-39-8 [RN]
C17H18FN3O3

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 531.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 275.5±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 87.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.99
ACD/KOC (pH 5.5): 206.01
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.99
ACD/KOC (pH 7.4): 206.01
Polar Surface Area: 66 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 246.1±7.0 cm3

Click to predict properties on the Chemicalize site






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