BioLiP

PDB

BioLiP

PDB CCD ID:

2QB

Number of entries in BioLiP:

Chemical formula:

C6 H8 N6

InChI:

InChI=1S/C6H8N6/c1-4-9-2-5(3-10-12-8)6(7)11-4/h2H,3H2,1H3,(H2,7,9,11)

InChIKey:

HRZOZFYDZBEQQQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ncc(CN=[N+]=[N-])c(N)n1
OpenEye OEToolkits 1.7.6	Cc1ncc(c(n1)N)CN=[N+]=[N-]
ACDLabs 12.01	[N-]=[N+]=N/Cc1cnc(nc1N)C

Name:

5-(azidomethyl)-2-methylpyrimidin-4-amine

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).