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CHEBI:58969 - 6-hydroxytrimethoprim

ChEBI IDCHEBI:58969
ChEBI Name6-hydroxytrimethoprim
Stars
DefinitionAn aminopyrimidine, the structure of which is that of trimethoprim (pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge) carrying a 6-hydroxy substituent.
Last Modified22 December 2015
Submitterzjosephs
DownloadsMolfile
FormulaC14H18N4O4
Net Charge0
Average Mass306.322
Monoisotopic Mass306.13281
SMILESCOc1cc(Cc2c(N)nc(N)nc2O)cc(OC)c1OC
InChIInChI=1S/C14H18N4O4/c1-20-9-5-7(6-10(21-2)11(9)22-3)4-8-12(15)17-14(16)18-13(8)19/h5-6H,4H2,1-3H3,(H5,15,16,17,18,19)
InChIKeyFYJKTYLNKCUCLP-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)
6-hydroxytrimethoprim (CHEBI:58969) has functional parent trimethoprim (CHEBI:45924)
6-hydroxytrimethoprim (CHEBI:58969) is a aminopyrimidine (CHEBI:38338)
6-hydroxytrimethoprim (CHEBI:58969) is a hydroxypyrimidine (CHEBI:38340)
IUPAC Name 
2,6-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-4-ol
Synonyms  Source
6-hydroxy trimethoprimChEBI
6-hydroxy TMPChEBI
2,4-diamino-5-(3,4,5-trimethoxybenzyl)-6-hydroxypyrimidineChEBI
2,4-diamino-6-hydroxy-5-(3,4,5-trimethoxybenzyl)pyrimidineChEBI
Registry NumbersSources
Reaxys:762092Reaxys
Citations