English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

JNF

Summary

Name:	N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine
Formula:	C18 H21 N5
Formal charge:	0
Formula weight:	307.393 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine
OpenEye OEToolkits	1.5.0	N-cyclohexyl-4-imidazo[3,2-a]pyridin-3-yl-N-methyl-pyrimidin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1ccc(nc1N(C2CCCCC2)C)c3cnc4ccccn34
SMILES_CANONICAL	CACTVS	3.341	CN(C1CCCCC1)c2nccc(n2)c3cnc4ccccn34
SMILES	CACTVS	3.341	CN(C1CCCCC1)c2nccc(n2)c3cnc4ccccn34
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	C[N@@](c1nccc(n1)c2cnc3n2cccc3)C4CCCCC4
SMILES	OpenEye OEToolkits	1.5.0	CN(c1nccc(n1)c2cnc3n2cccc3)C4CCCCC4
InChI	InChI	1.03	InChI=1S/C18H21N5/c1-22(14-7-3-2-4-8-14)18-19-11-10-15(21-18)16-13-20-17-9-5-6-12-23(16)17/h5-6,9-14H,2-4,7-8H2,1H3
InChIKey	InChI	1.03	HYNNWLVWJXWXFO-UHFFFAOYSA-N

222624

PDB entries from 2024-07-17

PDB statistics

PDBj update info

Contact PDBj

numon