ChemSpider 2D Image | 4-(Dibutylamino)-N-[4-(diethylamino)butyl]-7-(3-methoxypropyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide | C27H48N6O2

4-(Dibutylamino)-N-[4-(diethylamino)butyl]-7-(3-methoxypropyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

  • Molecular FormulaC27H48N6O2
  • Average mass488.709 Da
  • Monoisotopic mass488.383881 Da
  • ChemSpider ID125897646

More details:

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

4-(Dibutylamino)-N-[4-(diethylamino)butyl]-7-(3-methoxypropyl)-7H-pyrrolo[2,3-d]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
4-(Dibutylamino)-N-[4-(diethylamino)butyl]-7-(3-methoxypropyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide [ACD/IUPAC Name]
4-(Dibutylamino)-N-[4-(diéthylamino)butyl]-7-(3-méthoxypropyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-6-carboxamide, 4-(dibutylamino)-N-[4-(diethylamino)butyl]-7-(3-methoxypropyl)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 660.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.5±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 144.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 1.81
ACD/KOC (pH 7.4): 8.53
Polar Surface Area: 76 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 38.7±7.0 dyne/cm
Molar Volume: 455.7±7.0 cm3

Click to predict properties on the Chemicalize site


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