5ZE

4,6-dimethylpyrimidin-2-amine

Created:	2013-07-30
Last modified:	2014-02-26

Find Related PDB Entry
2 entries where 5ZE is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

2D diagram of 5ZE

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4,6-dimethylpyrimidin-2-amine
Systematic Name (OpenEye OEToolkits)	4,6-dimethylpyrimidin-2-amine
Formula	C₆ H₉ N₃
Molecular Weight	123.156
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(cc(nc1N)C)C
SMILES	CACTVS	3.385	Cc1cc(C)nc(N)n1
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(n1)N)C
Canonical SMILES	CACTVS	3.385	Cc1cc(C)nc(N)n1
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(n1)N)C
InChI	InChI	1.03	InChI=1S/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
InChIKey	InChI	1.03	IDQNBVFPZMCDDN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	13021
CCDC/CSD	FAXKIZ, BOQNUS, JACCOI, JACCUO, FAYJIZ, ADETOT, KIKQED, JACCIC, EXICIY, EXICEU, DAYWAC, EXIBIX, DAYWAC01, EXICAQ, KEVLOP, EXIBOD, BOQNIG, KEVLIJ, EXIBUJ, EWANOG, BOQNOM, LIQFAU
COD	2222233, 2225308, 2237220, 4510918

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.