S7J

2-(trifluoromethyl)pyrimidine-5-carboxamide

Created:	2020-03-05
Last modified:	2020-04-22

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5 entries where S7J is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

2D diagram of S7J

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Chemical Component Summary
Name	2-(trifluoromethyl)pyrimidine-5-carboxamide
Systematic Name (OpenEye OEToolkits)	2-(trifluoromethyl)pyrimidine-5-carboxamide
Formula	C₆ H₄ F₃ N₃ O
Molecular Weight	191.111
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=O)c1cnc(nc1)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.6	c1c(cnc(n1)C(F)(F)F)C(=O)N
Canonical SMILES	CACTVS	3.385	NC(=O)c1cnc(nc1)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1c(cnc(n1)C(F)(F)F)C(=O)N
InChI	InChI	1.03	InChI=1S/C6H4F3N3O/c7-6(8,9)5-11-1-3(2-12-5)4(10)13/h1-2H,(H2,10,13)
InChIKey	InChI	1.03	OKRNBFHZDGTDRX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	68423044

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.