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

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ChEBI Name 4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine ChEBI ID CHEBI:90621 Definition A member of the class of isoxazoles carrying phenyl, 2-aminopyrimidin-4-yl and methyl substituents at positions 3, 4 and 5 respectively. Stars This entity has been manually annotated by the ChEBI Team. Submitter Matthias Ziehm Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H12N4O Net Charge 0 Average Mass 252.272 Monoisotopic Mass 252.10111 InChI InChI=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) InChIKey XWMBSXFOZPVNQH-UHFFFAOYSA-N SMILES C=1(C(C2=NC(N)=NC=C2)=C(C)ON1)C3=CC=CC=C3 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Xref Database FMJ PDBeChem View more database links Registry Number Type Source 11404149 Reaxys Registry Number Reaxys Last Modified 14 July 2016