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CHEBI:82861 - 5-chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-amine

ChEBI IDCHEBI:82861
ChEBI Name5-chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-amine
Stars
ASCII Name5-chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-amine
DefinitionA member of the class of aminopyrimidines that is 5-chloro-6-methylpyrimidin-4-amine in which one of the amino hydrogens is replaced by a 1-[4-(difluoromethoxy)phenyl]propyl group.
Last Modified5 September 2014
SubmitterSteve
DownloadsMolfile
FormulaC15H16ClF2N3O
Net Charge0
Average Mass327.762
Monoisotopic Mass327.09500
SMILESCCC(Nc1ncnc(C)c1Cl)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H16ClF2N3O/c1-3-12(21-14-13(16)9(2)19-8-20-14)10-4-6-11(7-5-10)22-15(17)18/h4-8,12,15H,3H2,1-2H3,(H,19,20,21)
InChIKeyNEKULYKCZPJMMJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
5-chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-amine (CHEBI:82861) is a aminopyrimidine (CHEBI:38338)
5-chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-amine (CHEBI:82861) is a aromatic ether (CHEBI:35618)
5-chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-amine (CHEBI:82861) is a organochlorine compound (CHEBI:36683)
5-chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-amine (CHEBI:82861) is a organofluorine compound (CHEBI:37143)
5-chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-amine (CHEBI:82861) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
(R)-diflumetorim (CHEBI:82867) is a 5-chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-amine (CHEBI:82861)
(S)-diflumetorim (CHEBI:82868) is a 5-chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-amine (CHEBI:82861)
IUPAC Name 
5-chloro-N-{1-[4-(difluoromethoxy)phenyl]propyl}-6-methylpyrimidin-4-amine
Manual XrefsDatabases
1216PPDB