cyprodinil (CHEBI:4045)

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CHEBI:4045 - cyprodinil

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ChEBI ID	CHEBI:4045
ChEBI Name	cyprodinil
Stars
Definition	A member of the class of aminopyrimidine that is N-phenylpyrimidin-2-amine carrying additional cyclopropyl and methyl substituents at positions 4 and 6 respectively. A broad spectrum fungicide used to control a range of pathogens including Tapesia yallundae, Botrytis spp., Alternaria spp. and Rhynchospium secalis. Whilst it is a recognised irritant no serious human health concerns have been identified. It is moderately toxic to birds as well as most aquatic organisms and earthworms, but it is not considered toxic to honeybees.
Last Modified	29 July 2015
Downloads	Molfile

Formula	C14H15N3
Net Charge	0
Average Mass	225.295
Monoisotopic Mass	225.12660
SMILES	Cc1cc(C2CC2)nc(Nc2ccccc2)n1
InChI	InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)
InChIKey	HAORKNGNJCEJBX-UHFFFAOYSA-N

Roles Classification

Chemical Roles:	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. antifungal agrochemical Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties. aryl hydrocarbon receptor agonist An agonist that binds to and activates aryl hydrocarbon receptors (AhRs). 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)
	cyprodinil (CHEBI:4045) has role antifungal agrochemical (CHEBI:86328)
	cyprodinil (CHEBI:4045) has role aryl hydrocarbon receptor agonist (CHEBI:72768)
	cyprodinil (CHEBI:4045) has role environmental contaminant (CHEBI:78298)
	cyprodinil (CHEBI:4045) has role xenobiotic (CHEBI:35703)
	cyprodinil (CHEBI:4045) is a aminopyrimidine (CHEBI:38338)
	cyprodinil (CHEBI:4045) is a anilinopyrimidine fungicide (CHEBI:87208)
	cyprodinil (CHEBI:4045) is a cyclopropanes (CHEBI:51454)
	cyprodinil (CHEBI:4045) is a secondary amino compound (CHEBI:50995)

IUPAC Name
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine

Synonyms	Source
2-Anilino-4-cyclopropyl-6-methylpyrimidine	HMDB
4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine	HMDB
HSDB 7019	ChemIDplus

Manual Xrefs	Databases
199	PPDB
C10914	KEGG COMPOUND
cyprodinil	Alan Wood's Pesticides
EP1023838	Patent
HMDB0034853	HMDB
US2011021580	Patent

Registry Numbers	Sources
Reaxys:7813601	Reaxys
CAS:121552-61-2	NIST Chemistry WebBook
CAS:121552-61-2	KEGG COMPOUND
CAS:121552-61-2	ChemIDplus

Citations