ChemSpider 2D Image | Methyl 7-butyl-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate | C14H19N3O4

Methyl 7-butyl-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

  • Molecular FormulaC14H19N3O4
  • Average mass293.318 Da
  • Monoisotopic mass293.137543 Da
  • ChemSpider ID25084269

More details:

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

1086386-32-4 [RN]
1H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 7-butyl-2,3,4,7-tetrahydro-1,3-dimethyl-2,4-dioxo-, methyl ester [ACD/Index Name]
7-Butyl-1,3-diméthyl-2,4-dioxo-2,3,4,7-tétrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 7-butyl-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Methyl-7-butyl-1,3-dimethyl-2,4-dioxo-2,3,4,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
1H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLICACID, 7-BUTYL-2,3,4,7-TETRAHYDRO-1,3-DIMETHYL-2,4-DIOXO-, METHYL ESTER
AKOS015958348
F9995-1072
MCULE-7241897566
methyl 7-butyl-1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 452.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.2±3.0 kJ/mol
    Flash Point: 227.7±31.5 °C
    Index of Refraction: 1.590
    Molar Refractivity: 77.0±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.58
    ACD/LogD (pH 5.5): 2.15
    ACD/BCF (pH 5.5): 25.37
    ACD/KOC (pH 5.5): 352.21
    ACD/LogD (pH 7.4): 2.15
    ACD/BCF (pH 7.4): 25.37
    ACD/KOC (pH 7.4): 352.21
    Polar Surface Area: 72 Å2
    Polarizability: 30.5±0.5 10-24cm3
    Surface Tension: 45.8±7.0 dyne/cm
    Molar Volume: 228.2±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement