ChemSpider 2D Image | 5-[3-(Benzyloxy)phenyl]-6-methyl-7-[3-(1-pyrrolidinylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine | C29H33N5O

5-[3-(Benzyloxy)phenyl]-6-methyl-7-[3-(1-pyrrolidinylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

  • Molecular FormulaC29H33N5O
  • Average mass467.605 Da
  • Monoisotopic mass467.268524 Da
  • ChemSpider ID24808613

More details:

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

5-[3-(Benzyloxy)phenyl]-6-methyl-7-[3-(1-pyrrolidinylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
5-[3-(Benzyloxy)phenyl]-6-methyl-7-[3-(1-pyrrolidinylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
5-[3-(Benzyloxy)phényl]-6-méthyl-7-[3-(1-pyrrolidinylméthyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 6-methyl-5-[3-(phenylmethoxy)phenyl]-7-[3-(1-pyrrolidinylmethyl)cyclobutyl]- [ACD/Index Name]
Kinome_2535

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

Density: 1.3±0.1 g/cm3
Boiling Point: 671.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.1±31.5 °C
Index of Refraction: 1.690
Molar Refractivity: 138.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 1.81
ACD/KOC (pH 5.5): 5.22
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 20.88
ACD/KOC (pH 7.4): 60.40
Polar Surface Area: 69 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 361.2±7.0 cm3

Click to predict properties on the Chemicalize site


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