7-(1-pyrrolidinyl)pyrimido[4,5-d]pyrimidin-4-amine (CHEBI:228711)

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CHEBI:228711 - 7-(1-pyrrolidinyl)pyrimido[4,5-d]pyrimidin-4-amine

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ChEBI ID	CHEBI:228711
ChEBI Name	7-(1-pyrrolidinyl)pyrimido[4,5-d]pyrimidin-4-amine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C10H12N6
Net Charge	0
Average Mass	216.248
Monoisotopic Mass	216.11234
SMILES	Nc1ncnc2nc(N3CCCC3)ncc12
InChI	InChI=1S/C10H12N6/c11-8-7-5-12-10(16-3-1-2-4-16)15-9(7)14-6-13-8/h5-6H,1-4H2,(H2,11,12,13,14,15)
InChIKey	LLENOGXZCZHFBJ-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	urine (BTO:0001419)	MetaboLights (MTBLS8662)
Zea mays (ncbitaxon:4577)	exometabolome	MetaboLights (MTBLS8903)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	7-(1-pyrrolidinyl)pyrimido[4,5-d]pyrimidin-4-amine (CHEBI:228711) is a dialkylarylamine (CHEBI:23665)
	7-(1-pyrrolidinyl)pyrimido[4,5-d]pyrimidin-4-amine (CHEBI:228711) is a tertiary amino compound (CHEBI:50996)

IUPAC Name
2-pyrrolidin-1-ylpyrimido[4,5-d]pyrimidin-5-amine

Manual Xrefs	Databases
2095285	ChemSpider