BioLiP

PDB

BioLiP

PDB CCD ID:

WKS

Number of entries in BioLiP:

Chemical formula:

C10 H16 N4

InChI:

InChI=1S/C10H16N4/c1-8-7-10(13-9(2)12-8)14-5-3-11-4-6-14/h7,11H,3-6H2,1-2H3

InChIKey:

NARMKNJWXHFJFF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(nc(n1)C)N2CCNCC2
ACDLabs 12.01	C1CNCCN1c2cc(C)nc(n2)C
CACTVS 3.385	Cc1cc(nc(C)n1)N2CCNCC2

Name:

2,4-dimethyl-6-(piperazin-1-yl)pyrimidine

ZINC:

ZINC000004945061

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).