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Summary Geometry Related PDB entries

A1CC3

Summary

Name:	(2M,4S)-2-(2-chloropyridin-4-yl)-N-cyclohexyl-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine
Formula:	C19 H22 Cl N5
Formal charge:	0
Formula weight:	355.864 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	(2M,4S)-2-(2-chloropyridin-4-yl)-N-cyclohexyl-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine
OpenEye OEToolkits	3.1.0.0	2-(2-chloranylpyridin-4-yl)-~{N}-cyclohexyl-5,7-dimethyl-imidazo[1,2-a]pyrimidin-3-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Clc1nccc(c1)c1nc2nc(C)cc(C)n2c1NC1CCCCC1
InChI	InChI	1.06	InChI=1S/C19H22ClN5/c1-12-10-13(2)25-18(23-15-6-4-3-5-7-15)17(24-19(25)22-12)14-8-9-21-16(20)11-14/h8-11,15,23H,3-7H2,1-2H3
InChIKey	InChI	1.06	HERNWKUOCFEFTO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc(C)n2c(NC3CCCCC3)c(nc2n1)c4ccnc(Cl)c4
SMILES	CACTVS	3.385	Cc1cc(C)n2c(NC3CCCCC3)c(nc2n1)c4ccnc(Cl)c4
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cc1cc(n2c(c(nc2n1)c3ccnc(c3)Cl)NC4CCCCC4)C
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1cc(n2c(c(nc2n1)c3ccnc(c3)Cl)NC4CCCCC4)C

247947

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