ChemSpider 2D Image | 2-Amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide | C21H22Cl2F3N5O2

2-Amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide

  • Molecular FormulaC21H22Cl2F3N5O2
  • Average mass504.333 Da
  • Monoisotopic mass503.110260 Da
  • ChemSpider ID26326894

More details:






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

2-Amino-N-cyclobutyl-4-[2,4-dichlor-6-(4,4,4-trifluorbutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
2-Amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide [ACD/IUPAC Name]
2-Amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phényl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
6H-Pyrrolo[3,4-d]pyrimidine-6-carboxamide, 2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.617
Molar Refractivity: 116.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 845.40
ACD/KOC (pH 5.5): 4331.10
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 846.71
ACD/KOC (pH 7.4): 4337.79
Polar Surface Area: 93 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 334.0±5.0 cm3

Click to predict properties on the Chemicalize site






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