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CHEBI:123115 - diaveridine

ChEBI IDCHEBI:123115
ChEBI Namediaveridine
Stars
DefinitionAn aminopyrimidine in which the pyrimidine ring carries amino substituents at C-2 and C-4 and a 3,4-dimethoxybenzyl group at C-5. A folic acid antagonist, it is used as a synergist with sulfonamides against the parasitic Eimeria species.
Last Modified4 March 2019
DownloadsMolfile
FormulaC13H16N4O2
Net Charge0
Average Mass260.297
Monoisotopic Mass260.12733
SMILESCOc1ccc(Cc2cnc(N)nc2N)cc1OC
InChIInChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
InChIKeyLDBTVAXGKYIFHO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
drug allergen  Any drug which causes the onset of an allergic reaction.
Applications:
drug allergen  Any drug which causes the onset of an allergic reaction.
antiparasitic agent  A substance used to treat or prevent parasitic infections.
ChEBI Ontology
Outgoing Relation(s)
diaveridine (CHEBI:123115) has role antiparasitic agent (CHEBI:35442)
diaveridine (CHEBI:123115) has role drug allergen (CHEBI:88188)
diaveridine (CHEBI:123115) is a aminopyrimidine (CHEBI:38338)
IUPAC Name 
5-(3,4-dimethoxybenzyl)pyrimidine-2,4-diamine
INNs  Source
diaveridineChemIDplus
diaveridinaChemIDplus
diaveridinumChemIDplus
Synonyms  Source
5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamineChEMBL
2,4-Diamino-5-(3,4-dimethoxybenzyl)pyrimidineChemIDplus
2,4-Diamino-5-veratrylpyrimidineChemIDplus
5-((3,4-Dimethoxyphenyl)methyl)-2,4-pyrimidinediamineChemIDplus
DiaveridinChemIDplus
Manual XrefsDatabases
D03771KEGG DRUG
US2624732Patent
US3341541Patent
Registry NumbersSources
Beilstein:0258464Beilstein
Reaxys:258464Reaxys
CAS:5355-16-8ChemIDplus
CAS:5355-16-8KEGG DRUG
Citations