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CHEBI:62952 - aminocyclopyrachlor

ChEBI IDCHEBI:62952
ChEBI Nameaminocyclopyrachlor
Stars
DefinitionAn organochlorine herbicide, the structure of which is that of pyrimidine-4-carboxylic acid substituted at positions 2, 5 and 6 by cyclopropyl, chloro and amino groups respectively.
Last Modified10 September 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H8ClN3O2
Net Charge0
Average Mass213.624
Monoisotopic Mass213.03050
SMILESNc1nc(C2CC2)nc(C(=O)O)c1Cl
InChIInChI=1S/C8H8ClN3O2/c9-4-5(8(13)14)11-7(3-1-2-3)12-6(4)10/h3H,1-2H2,(H,13,14)(H2,10,11,12)
InChIKeyKWAIHLIXESXTJL-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
synthetic auxin  A synthetic compound exhibiting auxin activity.
Applications:
herbicide  A substance used to destroy plant pests.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
ChEBI Ontology
Outgoing Relation(s)
aminocyclopyrachlor (CHEBI:62952) has part primary amino group (CHEBI:46882)
aminocyclopyrachlor (CHEBI:62952) has role herbicide (CHEBI:24527)
aminocyclopyrachlor (CHEBI:62952) has role synthetic auxin (CHEBI:26841)
aminocyclopyrachlor (CHEBI:62952) is a cyclopropanes (CHEBI:51454)
aminocyclopyrachlor (CHEBI:62952) is a organochlorine pesticide (CHEBI:38656)
aminocyclopyrachlor (CHEBI:62952) is a pyrimidines (CHEBI:39447)
aminocyclopyrachlor (CHEBI:62952) is conjugate acid of aminocyclopyrachlor(1−) (CHEBI:62954)
Incoming Relation(s)
aminocyclopyrachlor-methyl (CHEBI:63215) has functional parent aminocyclopyrachlor (CHEBI:62952)
aminocyclopyrachlor(1−) (CHEBI:62954) is conjugate base of aminocyclopyrachlor (CHEBI:62952)
IUPAC Name 
6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylic acid
Synonyms  Source
6-amino-5-chloro-2-cyclopropyl-4-pyrimidinecarboxylic acidChEBI
aminocyclopyrachloreChEBI
Brand Name  Source
ImprelisChEBI
Manual XrefsDatabases
AminocyclopyrachlorWikipedia
1668PPDB
Registry NumbersSources
Reaxys:11329725Reaxys
CAS:858956-08-8ChemIDplus
Citations