ChemSpider 2D Image | UNC2881 | C25H33N7O2

UNC2881

  • Molecular FormulaC25H33N7O2
  • Average mass463.575 Da
  • Monoisotopic mass463.269562 Da
  • ChemSpider ID31129513

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1493764-08-1 [RN]
2-(Butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-[[4-(1H-imidazol-1-yl)phenyl]methyl]-5-pyrimidinecarboxamide
2-(Butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-[4-(1H-imidazol-1-yl)benzyl]-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
2-(Butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-[4-(1H-imidazol-1-yl)benzyl]-5-pyrimidinecarboxamide [ACD/IUPAC Name]
2-(Butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-[4-(1H-imidazol-1-yl)benzyl]-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxamide, 2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-[[4-(1H-imidazol-1-yl)phenyl]methyl]- [ACD/Index Name]
UNC2881
[1493764-08-1] [RN]
MFCD28142814
N-(4-(1H-Imidazol-1-yl)benzyl)-2-(butylamino)-4-(((1r,4r)-4-hydroxycyclohexyl)amino)pyrimidine-5-carboxamide
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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: 1.666
Molar Refractivity: 131.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 28.58
ACD/KOC (pH 5.5): 275.95
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.26
ACD/KOC (pH 7.4): 861.87
Polar Surface Area: 117 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 353.3±7.0 cm3

Click to predict properties on the Chemicalize site


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