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CHEBI:90621 - 4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine

ChEBI IDCHEBI:90621
ChEBI Name4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
Stars
DefinitionA member of the class of isoxazoles carrying phenyl, 2-aminopyrimidin-4-yl and methyl substituents at positions 3, 4 and 5 respectively.
Last Modified14 July 2016
Submittermziehm
DownloadsMolfile
FormulaC14H12N4O
Net Charge0
Average Mass252.277
Monoisotopic Mass252.10111
SMILESCc1onc(-c2ccccc2)c1-c1ccnc(N)n1
InChIInChI=1S/C14H12N4O/c1-9-12(11-7-8-16-14(15)17-11)13(18-19-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,15,16,17)
InChIKeyXWMBSXFOZPVNQH-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)
4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine (CHEBI:90621) is a aminopyrimidine (CHEBI:38338)
4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine (CHEBI:90621) is a isoxazoles (CHEBI:55373)
IUPAC Name 
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-amine
Manual XrefsDatabases
FMJPDBeChem
Registry NumbersSources
Reaxys:11404149Reaxys