ChemSpider 2D Image | 4-(Cyclohexylamino)-2-{[2-methoxy-4-(4-morpholinylcarbonyl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | C25H29N7O3

4-(Cyclohexylamino)-2-{[2-methoxy-4-(4-morpholinylcarbonyl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

  • Molecular FormulaC25H29N7O3
  • Average mass475.543 Da
  • Monoisotopic mass475.233185 Da
  • ChemSpider ID129267970

More details:

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

4-(Cyclohexylamino)-2-{[2-methoxy-4-(4-morpholinylcarbonyl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-5-carbonitril [German] [ACD/IUPAC Name]
4-(Cyclohexylamino)-2-{[2-methoxy-4-(4-morpholinylcarbonyl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile [ACD/IUPAC Name]
4-(Cyclohexylamino)-2-{[2-méthoxy-4-(4-morpholinylcarbonyl)phényl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-(cyclohexylamino)-2-[[2-methoxy-4-(4-morpholinylcarbonyl)phenyl]amino]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 803.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 116.8±3.0 kJ/mol
Flash Point: 439.8±37.1 °C
Index of Refraction: 1.671
Molar Refractivity: 129.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 17.89
ACD/KOC (pH 5.5): 185.29
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.59
ACD/KOC (pH 7.4): 710.24
Polar Surface Area: 128 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 77.5±5.0 dyne/cm
Molar Volume: 345.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement