ChemSpider 2D Image | 5-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-6-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione | C21H22N6O6

5-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-6-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione

  • Molecular FormulaC21H22N6O6
  • Average mass454.436 Da
  • Monoisotopic mass454.160095 Da
  • ChemSpider ID21771717

More details:

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

1H-Pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione, 5-(6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-6-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl- [ACD/Index Name]
5-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-6-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidin-2,4(3H,7H)-dion [German] [ACD/IUPAC Name]
5-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-6-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione [ACD/IUPAC Name]
5-(6-Amino-1,3-diméthyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)-6-(4-hydroxy-3-méthoxyphényl)-1,3-diméthyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione [French] [ACD/IUPAC Name]
5-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-6-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
5-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-6-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
951975-21-6 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 717.4±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 108.6±3.0 kJ/mol
    Flash Point: 387.7±35.7 °C
    Index of Refraction: 1.661
    Molar Refractivity: 114.8±0.3 cm3
    #H bond acceptors: 12
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: -0.31
    ACD/LogD (pH 5.5): 0.06
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 25.61
    ACD/LogD (pH 7.4): 0.06
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 25.66
    Polar Surface Area: 153 Å2
    Polarizability: 45.5±0.5 10-24cm3
    Surface Tension: 65.9±3.0 dyne/cm
    Molar Volume: 310.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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