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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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

ChEBI ID	CHEBI:228711

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H12N6

Net Charge

Average Mass

216.248

Monoisotopic Mass

216.11234

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

SMILES

N1(CCCC1)C=2N=C3N=CN=C(N)C3=CN2

Metabolite of Species	Details
Zea mays (NCBI:txid4577)	Found in exometabolome See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). 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	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