ChemSpider 2D Image | 4-Butoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine | C16H17N3O

4-Butoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine

  • Molecular FormulaC16H17N3O
  • Average mass267.326 Da
  • Monoisotopic mass267.137177 Da
  • ChemSpider ID24808972

More details:

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

4-Butoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin [German] [ACD/IUPAC Name]
4-Butoxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine [ACD/IUPAC Name]
4-Butoxy-5-phényl-7H-pyrrolo[2,3-d]pyrimidine [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine, 4-butoxy-5-phenyl- [ACD/Index Name]
Kinome_1020

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

Density: 1.2±0.1 g/cm3
Boiling Point: 472.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 168.8±19.0 °C
Index of Refraction: 1.621
Molar Refractivity: 79.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 251.25
ACD/KOC (pH 5.5): 1783.48
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 268.55
ACD/KOC (pH 7.4): 1906.29
Polar Surface Area: 51 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 227.1±3.0 cm3

Click to predict properties on the Chemicalize site


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