ChemSpider 2D Image | 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[1-(4,5-dimethyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]acetamide | C22H27N9O4

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

  • Molecular FormulaC22H27N9O4
  • Average mass481.508 Da
  • Monoisotopic mass481.218597 Da
  • ChemSpider ID39200440

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-[1-(4,5-dimethyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-3-(2-methyl-2-propanyl)-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-[1-(4,5-dimethyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-3-(2-methyl-2-propanyl)-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-[1-(4,5-diméthyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]acétamide [French] [ACD/IUPAC Name]
7H-Purine-7-acetamide, N-[1-(1,6-dihydro-4,5-dimethyl-6-oxo-2-pyrimidinyl)-3-(1,1-dimethylethyl)-1H-pyrazol-5-yl]-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- [ACD/Index Name]
N-(3-(tert-butyl)-1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)-2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-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: 1.707
Molar Refractivity: 127.5±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.67
ACD/KOC (pH 5.5): 69.96
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 31.68
Polar Surface Area: 147 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 327.4±7.0 cm3

Click to predict properties on the Chemicalize site


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