EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:233419 - 5-ethynylcytosine

ChEBI IDCHEBI:233419
ChEBI Name5-ethynylcytosine
Stars
DefinitionA terminal acetylenic compound that is a derivative of cytosine, having an ethynyl group at the 5-position.
Last Modified14 April 2025
SubmitterFlyBase
DownloadsMolfile
FormulaC6H5N3O
Net Charge0
Average Mass135.126
Monoisotopic Mass135.04326
SMILESC#Cc1cnc(=O)nc1N
InChIInChI=1S/C6H5N3O/c1-2-4-3-8-6(10)9-5(4)7/h1,3H,(H3,7,8,9,10)
InChIKeyPPYAFPNEHGRGIQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
5-ethynylcytosine (CHEBI:233419) has functional parent cytosine (CHEBI:16040)
5-ethynylcytosine (CHEBI:233419) is a aminopyrimidine (CHEBI:38338)
5-ethynylcytosine (CHEBI:233419) is a pyrimidone (CHEBI:38337)
5-ethynylcytosine (CHEBI:233419) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name 
4-amino-5-ethynylpyrimidin-2(1H)-one
Synonyms  Source
4-amino-5-ethynyl-2(1H)-pyrimidinoneChEBI
4-amino-5-ethynyl-1,2-dihydropyrimidin-2-oneChEBI
Registry NumbersSources
CAS:65223-79-2SUBMITTER
Citations