ChemSpider 2D Image | 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[3-methyl-1-(6-oxo-4-propyl-1,6-dihydro-2-pyrimidinyl)-1H-pyrazol-5-yl]acetamide | C20H23N9O4

2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[3-methyl-1-(6-oxo-4-propyl-1,6-dihydro-2-pyrimidinyl)-1H-pyrazol-5-yl]acetamide

  • Molecular FormulaC20H23N9O4
  • Average mass453.454 Da
  • Monoisotopic mass453.187286 Da
  • ChemSpider ID39200581

More details:

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

2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[3-methyl-1-(6-oxo-4-propyl-1,6-dihydro-2-pyrimidinyl)-1H-pyrazol-5-yl]acetamid [German] [ACD/IUPAC Name]
2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[3-methyl-1-(6-oxo-4-propyl-1,6-dihydro-2-pyrimidinyl)-1H-pyrazol-5-yl]acetamide [ACD/IUPAC Name]
2-(1,3-Diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl)-N-[3-méthyl-1-(6-oxo-4-propyl-1,6-dihydro-2-pyrimidinyl)-1H-pyrazol-5-yl]acétamide [French] [ACD/IUPAC Name]
7H-Purine-7-acetamide, N-[1-(1,6-dihydro-6-oxo-4-propyl-2-pyrimidinyl)-3-methyl-1H-pyrazol-5-yl]-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- [ACD/Index Name]
2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)-N-(3-methyl-1-(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)acetamide

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.743
Molar Refractivity: 118.3±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.54
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.57
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.26
Polar Surface Area: 147 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 66.5±7.0 dyne/cm
Molar Volume: 292.5±7.0 cm3

Click to predict properties on the Chemicalize site


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