5-(2-chloro-6-fluorobenzyl)-6-methyl-2-morpholinopyrimidin-4-ol (CHEBI:183386)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	5-(2-chloro-6-fluorobenzyl)-6-methyl-2-morpholinopyrimidin-4-ol

ChEBI ID	CHEBI:183386

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H17ClFN3O2

Net Charge

Average Mass

337.780

Monoisotopic Mass

337.09933

InChI

InChI=1S/C16H17ClFN3O2/c1-10-11(9-12-13(17)3-2-4-14(12)18)15(22)20-16(19-10)21-5-7-23-8-6-21/h2-4H,5-9H2,1H3,(H,19,20,22)

InChIKey

FLGILDJWZMEOSS-UHFFFAOYSA-N

SMILES

ClC=1C(CC2=C(NC(N3CCOCC3)=NC2=O)C)=C(F)C=CC1

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	5-(2-chloro-6-fluorobenzyl)-6-methyl-2-morpholinopyrimidin-4-ol (CHEBI:183386) is a dialkylarylamine (CHEBI:23665) 5-(2-chloro-6-fluorobenzyl)-6-methyl-2-morpholinopyrimidin-4-ol (CHEBI:183386) is a tertiary amino compound (CHEBI:50996)

IUPAC Name

5-[(2-chloro-6-luorophenyl)methyl]-6-methyl-2-morpholin-4-yl-1H-pyrimidin-4-one