CHEBI:177603 - Icotidine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Icotidine
ChEBI ID CHEBI:177603
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H25N5O2
Net Charge 0
Average Mass 379.464
Monoisotopic Mass 379.20083
InChI InChI=1S/C21H25N5O2/c1-15-8-9-16(13-24-15)12-17-14-25-21(26-20(17)27)23-10-4-3-6-18-19(28-2)7-5-11-22-18/h5,7-9,11,13-14H,3-4,6,10,12H2,1-2H3,(H2,23,25,26,27)
InChIKey GJCSPRIRQYWXRW-UHFFFAOYSA-N
SMILES O(C1=C(N=CC=C1)CCCCNC=2NC(=O)C(CC=3C=CC(=NC3)C)=CN2)C
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing Icotidine (CHEBI:177603) is a pyrimidone (CHEBI:38337)
IUPAC Name
2-[4-(3-methoxypyridin-2-yl)butylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one
Manual Xrefs Databases
65090 ChemSpider
D04494 KEGG DRUG
View more database links
Registry Number Type Source
71351-79-6 CAS Registry Number ChemIDplus
Last Modified
23 January 2023