ChemSpider 2D Image | 2-{[1-(4,6-Dimethyl-2-pyrimidinyl)-3-methyl-1H-pyrazol-5-yl]amino}-2-oxoethyl (1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate | C20H21N9O4

2-{[1-(4,6-Dimethyl-2-pyrimidinyl)-3-methyl-1H-pyrazol-5-yl]amino}-2-oxoethyl (1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate

  • Molecular FormulaC20H21N9O4
  • Average mass451.439 Da
  • Monoisotopic mass451.171661 Da
  • ChemSpider ID33105758

More details:

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

(1-Méthyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acétate de 2-{[1-(4,6-diméthyl-2-pyrimidinyl)-3-méthyl-1H-pyrazol-5-yl]amino}-2-oxoéthyle [French] [ACD/IUPAC Name]
2-{[1-(4,6-Dimethyl-2-pyrimidinyl)-3-methyl-1H-pyrazol-5-yl]amino}-2-oxoethyl (1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate [ACD/IUPAC Name]
2-{[1-(4,6-Dimethyl-2-pyrimidinyl)-3-methyl-1H-pyrazol-5-yl]amino}-2-oxoethyl-(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetat [German] [ACD/IUPAC Name]
5H-Pyrazolo[3,4-d]pyrimidine-5-acetic acid, 1,4-dihydro-1-methyl-4-oxo-, 2-[[1-(4,6-dimethyl-2-pyrimidinyl)-3-methyl-1H-pyrazol-5-yl]amino]-2-oxoethyl ester [ACD/Index Name]

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: 1.729
Molar Refractivity: 117.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.95
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.95
Polar Surface Area: 149 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 63.4±7.0 dyne/cm
Molar Volume: 295.7±7.0 cm3

Click to predict properties on the Chemicalize site


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