dimethirimol (CHEBI:81958)

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CHEBI:81958 - dimethirimol

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ChEBI ID	CHEBI:81958
ChEBI Name	dimethirimol
Stars
Definition	A member of the class of aminopyrimidines that is 2-dimethylaminopyrimidine carrying methyl, butyl and hydroxy substituents at posiitons 4, 5 and 6 respectively. A fungicide first marketed in 1970, and used particularly in glasshouses to control powdery mildew, it is no longer approved for use within the European Union.
Last Modified	29 July 2015
Downloads	Molfile

Formula	C11H19N3O
Net Charge	0
Average Mass	209.293
Monoisotopic Mass	209.15281
SMILES	CCCCc1c(C)nc(N(C)C)nc1O
InChI	InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)
InChIKey	CJHXCRMKMMBYJQ-UHFFFAOYSA-N

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. fungicide A substance used to destroy fungal pests. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Applications:	antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. fungicide A substance used to destroy fungal pests.

ChEBI Ontology

Outgoing Relation(s)
	dimethirimol (CHEBI:81958) has role antifungal agrochemical (CHEBI:86328)
	dimethirimol (CHEBI:81958) is a aminopyrimidine (CHEBI:38338)
	dimethirimol (CHEBI:81958) is a hydroxypyrimidine (CHEBI:38340)
	dimethirimol (CHEBI:81958) is a pyrimidine fungicide (CHEBI:87207)
	dimethirimol (CHEBI:81958) is a tertiary amino compound (CHEBI:50996)

IUPAC Name
5-butyl-2-(dimethylamino)-6-methylpyrimidin-4(1H)-one

Synonyms	Source
2-Dimethylamino-4-hydroxy-5-n-butyl-6-methylpyrimidine	ChemIDplus
2-Dimethylamino-4-methyl-5-n-butyl-6-hydroxypyrimidine	ChemIDplus
5-Butyl-2-(dimethylamino)-6-methyl-4(1H)-pyrimidinone	ChemIDplus
5-n-Butyl-2-dimethylamino-4-hydroxy-6-methylpyrimidine	ChemIDplus
Dimethyrimol	ChemIDplus
5-Butyl-2-(dimethylamino)-6-methyl-4-pyrimidinol	ChemIDplus

Manual Xrefs	Databases
C18784	KEGG COMPOUND
dimethirimol	Alan Wood's Pesticides
WO2006069715	Patent
243	PPDB

Registry Numbers	Sources
Reaxys:746334	Reaxys
CAS:5221-53-4	KEGG COMPOUND
CAS:5221-53-4	ChemIDplus

Citations