CHEBI:82038 - pyriminobac

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pyriminobac
ChEBI ID CHEBI:82038
Definition A member of the class of benzoic acids that is benzoic acid substituted by a (4,6-dimethoxypyrimidin-2-yl)oxy group at position 2 and a N-methoxyethanimidoyl group at position 6. It is a herbicide.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C16H17N3O6
Net Charge 0
Average Mass 347.327
Monoisotopic Mass 347.11174
InChI InChI=1S/C16H17N3O6/c1-9(19-24-4)10-6-5-7-11(14(10)15(20)21)25-16-17-12(22-2)8-13(18-16)23-3/h5-8H,1-4H3,(H,20,21)
InChIKey DEIKMOQTJBGGAX-UHFFFAOYSA-N
SMILES CON=C(C)C1=C(C(O)=O)C(OC2=NC(OC)=CC(OC)=N2)=CC=C1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Application(s): herbicide
A substance used to destroy plant pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pyriminobac (CHEBI:82038) has role herbicide (CHEBI:24527)
pyriminobac (CHEBI:82038) is a aromatic ether (CHEBI:35618)
pyriminobac (CHEBI:82038) is a benzoic acids (CHEBI:22723)
pyriminobac (CHEBI:82038) is a monocarboxylic acid (CHEBI:25384)
pyriminobac (CHEBI:82038) is a oxime O-ether (CHEBI:36816)
pyriminobac (CHEBI:82038) is a pyrimidines (CHEBI:39447)
Incoming pyriminobac-methyl (CHEBI:81780) has functional parent pyriminobac (CHEBI:82038)
IUPAC Name
2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-(N-methoxyethanimidoyl)benzoic acid
Synonym Source
2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-[1-(methoxyimino)ethyl]benzoic acid ChEBI
Manual Xrefs Databases
16738653 ChemSpider
C18890 KEGG COMPOUND
pyriminobac Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
136191-56-5 CAS Registry Number ChemIDplus
8396124 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23421475 PubMed citation Europe PMC
IND606651726 Agricola citation Europe PMC
Last Modified
02 February 2022