E2Z

2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine

Created:	2014-10-21
Last modified:	2020-06-05

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2 entries where E2Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	17

2D diagram of E2Z

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Chemical Component Summary
Name	2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine
Synonyms	2-(2-(1H-Imidazol-1-yl)pyrimidin-4-yl)-n-(3-fluorophenethyl)ethan-1-amine
Systematic Name (OpenEye OEToolkits)	2-(3-fluorophenyl)-N-[2-(2-imidazol-1-ylpyrimidin-4-yl)ethyl]ethanamine
Formula	C₁₇ H₁₈ F N₅
Molecular Weight	311.357
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cccc(c1)CCNCCc2nc(ncc2)n3ccnc3
SMILES	CACTVS	3.385	Fc1cccc(CCNCCc2ccnc(n2)n3ccnc3)c1
SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)F)CCNCCc2ccnc(n2)n3ccnc3
Canonical SMILES	CACTVS	3.385	Fc1cccc(CCNCCc2ccnc(n2)n3ccnc3)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)F)CCNCCc2ccnc(n2)n3ccnc3
InChI	InChI	1.03	InChI=1S/C17H18FN5/c18-15-3-1-2-14(12-15)4-7-19-8-5-16-6-9-21-17(22-16)23-11-10-20-13-23/h1-3,6,9-13,19H,4-5,7-8H2
InChIKey	InChI	1.03	ZPTNPJCYGBTULC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	118656528
ChEMBL	CHEMBL3547106

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.