9H-purine-2,6-diamine (CHEBI:40235)

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ChEBI Name	9H-purine-2,6-diamine

ChEBI ID	CHEBI:40235

ChEBI ASCII Name	9H-purine-2,6-diamine

Definition	A member of the class of 2,6-diaminopurines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by amino groups.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C5H6N6

Net Charge

Average Mass

150.14130

Monoisotopic Mass

150.06539

InChI

InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)

InChIKey

MSSXOMSJDRHRMC-UHFFFAOYSA-N

SMILES

Nc1nc(N)c2nc[nH]c2n1

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

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	9H-purine-2,6-diamine (CHEBI:40235) has functional parent adenine (CHEBI:16708) 9H-purine-2,6-diamine (CHEBI:40235) has role antineoplastic agent (CHEBI:35610) 9H-purine-2,6-diamine (CHEBI:40235) is a 2,6-diaminopurines (CHEBI:38001) 9H-purine-2,6-diamine (CHEBI:40235) is a primary amino compound (CHEBI:50994)

Incoming	reversine (CHEBI:70723) has functional parent 9H-purine-2,6-diamine (CHEBI:40235)

Last Modified

18 August 2016