ChemSpider 2D Image | 6-[4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one | C20H25N7O2

6-[4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

  • Molecular FormulaC20H25N7O2
  • Average mass395.458 Da
  • Monoisotopic mass395.206970 Da
  • ChemSpider ID30922913

More details:

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

1082744-20-4 [RN]
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,2-dihydro-6-[4-methyl-1-(2-pyrimidinylmethyl)-3-pyrrolidinyl]-1-(tetrahydro-2H-pyran-4-yl)- [ACD/Index Name]
6-[4-Methyl-1-(2-pyrimidinylmethyl)-3-pyrrolidinyl]-1-(tetrahydro-2H-pyran-4-yl)-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
6-[4-Methyl-1-(2-pyrimidinylmethyl)-3-pyrrolidinyl]-1-(tetrahydro-2H-pyran-4-yl)-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
6-[4-Méthyl-1-(2-pyrimidinylméthyl)-3-pyrrolidinyl]-1-(tétrahydro-2H-pyran-4-yl)-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
6-[4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
6-{4-methyl-1-[(pyrimidin-2-yl)methyl]pyrrolidin-3-yl}-1-(oxan-4-yl)-1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one
PF 04447943;PF04447943
PF-04447943

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

Density: 1.5±0.1 g/cm3
Boiling Point: 554.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.4±32.9 °C
Index of Refraction: 1.763
Molar Refractivity: 107.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.40
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.08
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.52
Polar Surface Area: 95 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 64.7±7.0 dyne/cm
Molar Volume: 259.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement