6UA

6-aminopyrimidine-2,4(3H,5H)-dione

Created:	2014-10-27
Last modified:	2015-07-15

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2 entries where 6UA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	0
Bond Count	14
Aromatic Bond Count	0

2D diagram of 6UA

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Chemical Component Summary
Name	6-aminopyrimidine-2,4(3H,5H)-dione
Systematic Name (OpenEye OEToolkits)	6-azanyl-5H-pyrimidine-2,4-dione
Formula	C₄ H₅ N₃ O₂
Molecular Weight	127.101
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1NC(=O)N=C(N)C1
SMILES	CACTVS	3.385	NC1=NC(=O)NC(=O)C1
SMILES	OpenEye OEToolkits	1.9.2	C1C(=NC(=O)NC1=O)N
Canonical SMILES	CACTVS	3.385	NC1=NC(=O)NC(=O)C1
Canonical SMILES	OpenEye OEToolkits	1.9.2	C1C(=NC(=O)NC1=O)N
InChI	InChI	1.03	InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H2,(H3,5,6,7,8,9)
InChIKey	InChI	1.03	BLOCGUWRFAOSFW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137321682, 84436

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.