HM2

5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE

Created: 2006-04-25
Last modified:  2011-06-04

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count0
Bond Count42
Aromatic Bond Count19
2D diagram of HM2
Toggle HydrogenToggle Labels

Chemical Component Summary

Name5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE
Systematic Name (OpenEye OEToolkits)5-chloro-6-methyl-N-phenethyl-2-pyridin-2-yl-pyrimidin-4-amine
FormulaC18 H17 Cl N4
Molecular Weight324.807
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Clc1c(nc(nc1C)c2ncccc2)NCCc3ccccc3
SMILESCACTVS3.341Cc1nc(nc(NCCc2ccccc2)c1Cl)c3ccccn3
SMILESOpenEye OEToolkits1.5.0Cc1c(c(nc(n1)c2ccccn2)NCCc3ccccc3)Cl
Canonical SMILESCACTVS3.341 Cc1nc(nc(NCCc2ccccc2)c1Cl)c3ccccn3
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1c(c(nc(n1)c2ccccn2)NCCc3ccccc3)Cl
InChIInChI1.03 InChI=1S/C18H17ClN4/c1-13-16(19)18(21-12-10-14-7-3-2-4-8-14)23-17(22-13)15-9-5-6-11-20-15/h2-9,11H,10,12H2,1H3,(H,21,22,23)
InChIKeyInChI1.03 HIUOABSWQSUEGK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07901 
Name5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE
Groups experimental
Synonyms5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE

Drug Targets

NameTarget SequencePharmacological ActionActions
Methionine aminopeptidase 1MAAVETRVCETDGCSSEAKLQCPTCIKLGIQGSYFCSQECFKGSWATHKL...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL472879
PubChem 2740174
ChEMBL CHEMBL472879