ChemSpider 2D Image | 2-Methyl-2-propanyl 2-(4-fluorophenyl)-5-(1-pyrrolidinylcarbonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate | C22H25FN4O3

2-Methyl-2-propanyl 2-(4-fluorophenyl)-5-(1-pyrrolidinylcarbonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate

  • Molecular FormulaC22H25FN4O3
  • Average mass412.457 Da
  • Monoisotopic mass412.191071 Da
  • ChemSpider ID28420661

More details:

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

1439904-36-5 [RN]
2-(4-Fluorophényl)-5-(1-pyrrolidinylcarbonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-(4-fluorophenyl)-5-(1-pyrrolidinylcarbonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-(4-fluorphenyl)-5-(1-pyrrolidinylcarbonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 2-(4-fluorophenyl)-5,7-dihydro-5-(1-pyrrolidinylcarbonyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
MFCD25458268
tert-butyl 2-(4-fluorophenyl)-5-(pyrrolidin-1-ylcarbonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
tert-butyl 2-(4-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 520.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.3±3.0 kJ/mol
    Flash Point: 268.5±30.1 °C
    Index of Refraction: 1.588
    Molar Refractivity: 107.5±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.49
    ACD/LogD (pH 5.5): 2.88
    ACD/BCF (pH 5.5): 90.51
    ACD/KOC (pH 5.5): 875.43
    ACD/LogD (pH 7.4): 2.88
    ACD/BCF (pH 7.4): 90.51
    ACD/KOC (pH 7.4): 875.44
    Polar Surface Area: 76 Å2
    Polarizability: 42.6±0.5 10-24cm3
    Surface Tension: 55.2±3.0 dyne/cm
    Molar Volume: 319.8±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement