3AY

PYRIMIDINE-2,4,6-TRIAMINE

Created:	2006-04-14
Last modified:	2011-06-04

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3 entries where 3AY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	6

2D diagram of 3AY

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Chemical Component Summary
Name	PYRIMIDINE-2,4,6-TRIAMINE
Systematic Name (OpenEye OEToolkits)	pyrimidine-2,4,6-triamine
Formula	C₄ H₇ N₅
Molecular Weight	125.132
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(N)cc(nc1N)N
SMILES	CACTVS	3.341	Nc1cc(N)nc(N)n1
SMILES	OpenEye OEToolkits	1.5.0	c1c(nc(nc1N)N)N
Canonical SMILES	CACTVS	3.341	Nc1cc(N)nc(N)n1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c(nc(nc1N)N)N
InChI	InChI	1.03	InChI=1S/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9)
InChIKey	InChI	1.03	JTTIOYHBNXDJOD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	13863
ChEMBL	CHEMBL571518
ChEBI	CHEBI:39857
CCDC/CSD	SOVNIA, KIMRUW, SOVQEZ, SOVMOF, VEJQOT, SOVQAV, SOVLAQ

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.