ChemSpider 2D Image | 2-{[4-Amino-3-(3-hydroxy-1-propyn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)-4(3H)-quinazolinone | C25H21N7O2

2-{[4-Amino-3-(3-hydroxy-1-propyn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)-4(3H)-quinazolinone

  • Molecular FormulaC25H21N7O2
  • Average mass451.480 Da
  • Monoisotopic mass451.175659 Da
  • ChemSpider ID24604329

More details:

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

2-{[4-Amino-3-(3-hydroxy-1-propin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
2-{[4-Amino-3-(3-hydroxy-1-propyn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)-4(3H)-quinazolinone [ACD/IUPAC Name]
2-{[4-Amino-3-(3-hydroxy-1-propyn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]méthyl}-5-méthyl-3-(2-méthylphényl)-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
2-{[4-Amino-3-(3-Hydroxyprop-1-Yn-1-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-1-Yl]methyl}-5-Methyl-3-(2-Methylphenyl)quinazolin-4(3h)-One
4(3H)-Quinazolinone, 2-[[4-amino-3-(3-hydroxy-1-propyn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)- [ACD/Index Name]
1133837-50-9 [RN]
2-((4-Amino-3-(3-hydroxyprop-1-ynyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one
S30

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

Density: 1.4±0.1 g/cm3
Boiling Point: 738.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 400.7±35.7 °C
Index of Refraction: 1.729
Molar Refractivity: 128.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.92
ACD/KOC (pH 5.5): 285.05
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.03
ACD/KOC (pH 7.4): 286.70
Polar Surface Area: 123 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 322.1±7.0 cm3

Click to predict properties on the Chemicalize site


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