24K

trans-4-{[2-(butylamino)-5-(pyridin-2-yl)pyrimidin-4-yl]amino}cyclohexanol

Created:2013-08-28
Last modified:  2013-11-27

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count0
Bond Count54
Aromatic Bond Count12
2D diagram of 24K

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Nametrans-4-{[2-(butylamino)-5-(pyridin-2-yl)pyrimidin-4-yl]amino}cyclohexanol
Systematic Name (OpenEye OEToolkits)4-[[2-(butylamino)-5-pyridin-2-yl-pyrimidin-4-yl]amino]cyclohexan-1-ol
FormulaC19 H27 N5 O
Molecular Weight341.451
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c(c(cnc1NCCCC)c2ncccc2)NC3CCC(O)CC3
SMILESCACTVS3.385CCCCNc1ncc(c(N[CH]2CC[CH](O)CC2)n1)c3ccccn3
SMILESOpenEye OEToolkits1.7.6CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3
Canonical SMILESCACTVS3.385 CCCCNc1ncc(c(N[C@@H]2CC[C@@H](O)CC2)n1)c3ccccn3
Canonical SMILESOpenEye OEToolkits1.7.6 CCCCNc1ncc(c(n1)NC2CCC(CC2)O)c3ccccn3
InChIInChI1.03 InChI=1S/C19H27N5O/c1-2-3-11-21-19-22-13-16(17-6-4-5-12-20-17)18(24-19)23-14-7-9-15(25)10-8-14/h4-6,12-15,25H,2-3,7-11H2,1H3,(H2,21,22,23,24)/t14-,15-
InChIKeyInChI1.03 DMDQOCLVSGUEJT-SHTZXODSSA-N