ChemSpider 2D Image | N-[4-Chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinyl]-N'-isobutyl-1,4-cyclohexanediamine | C21H27ClN6

N-[4-Chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinyl]-N'-isobutyl-1,4-cyclohexanediamine

  • Molecular FormulaC21H27ClN6
  • Average mass398.932 Da
  • Monoisotopic mass398.198578 Da
  • ChemSpider ID24809134

More details:

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

1,4-Cyclohexanediamine, N1-[4-chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinyl]-N4-(2-methylpropyl)- [ACD/Index Name]
N-[4-Chlor-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinyl]-N'-isobutyl-1,4-cyclohexandiamin [German] [ACD/IUPAC Name]
N-[4-Chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinyl]-N'-isobutyl-1,4-cyclohexanediamine [ACD/IUPAC Name]
N-[4-Chloro-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinyl]-N'-isobutyl-1,4-cyclohexanediamine [French] [ACD/IUPAC Name]
Kinome_205

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 112.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.70
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.02
Polar Surface Area: 79 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 313.7±5.0 cm3

Click to predict properties on the Chemicalize site


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