ChemSpider 2D Image | KP-544 | C18H19ClN4O

KP-544

  • Molecular FormulaC18H19ClN4O
  • Average mass342.823 Da
  • Monoisotopic mass342.124725 Da
  • ChemSpider ID19918790

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexanol, 4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]-4-pyrimidinyl]amino]-, trans- [ACD/Index Name]
KP-544
trans-4-({2-Amino-5-[(4-chlorophenyl)ethynyl]-4-pyrimidinyl}amino)cyclohexanol [ACD/IUPAC Name]
trans-4-({2-Amino-5-[(4-chlorophényl)éthynyl]-4-pyrimidinyl}amino)cyclohexanol [French] [ACD/IUPAC Name]
trans-4-({2-Amino-5-[(4-chlorphenyl)ethinyl]-4-pyrimidinyl}amino)cyclohexanol [German] [ACD/IUPAC Name]
(1r,4r)-4-((2-amino-5-((4-chlorophenyl)ethynyl)pyrimidin-4-yl)amino)cyclohexanol
2-Amino-5-(4-chlorophenylethynyl)-4-(trans-4-hydroxycyclohexylamino)pyrimidine
393856-87-6 [RN]
4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
Cyclohexanol, 4-[[2-amino-5-[(4-chlorophenyl)ethynyl]-4-pyrimidinyl]amino]-, trans- (9CI)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 618.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 327.9±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 93.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 56.15
ACD/KOC (pH 5.5): 382.17
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 294.45
ACD/KOC (pH 7.4): 2004.26
Polar Surface Area: 84 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 75.8±5.0 dyne/cm
Molar Volume: 251.2±5.0 cm3

Click to predict properties on the Chemicalize site


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