FU5

4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine

Created:	2011-03-21
Last modified:	2011-06-04

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1 entries where FU5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	13

2D diagram of FU5

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Chemical Component Summary
Name	4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine
Systematic Name (OpenEye OEToolkits)	4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methyl-pyrimidin-2-amine
Formula	C₁₅ H₁₅ Cl F₃ N₃ O
Molecular Weight	345.747
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)CCCOc1c(c(Cl)ccc1)c2nc(nc(c2)C)N
SMILES	CACTVS	3.370	Cc1cc(nc(N)n1)c2c(Cl)cccc2OCCCC(F)(F)F
SMILES	OpenEye OEToolkits	1.7.0	Cc1cc(nc(n1)N)c2c(cccc2Cl)OCCCC(F)(F)F
Canonical SMILES	CACTVS	3.370	Cc1cc(nc(N)n1)c2c(Cl)cccc2OCCCC(F)(F)F
Canonical SMILES	OpenEye OEToolkits	1.7.0	Cc1cc(nc(n1)N)c2c(cccc2Cl)OCCCC(F)(F)F
InChI	InChI	1.03	InChI=1S/C15H15ClF3N3O/c1-9-8-11(22-14(20)21-9)13-10(16)4-2-5-12(13)23-7-3-6-15(17,18)19/h2,4-5,8H,3,6-7H2,1H3,(H2,20,21,22)
InChIKey	InChI	1.03	SHQYMCWXQPPEMC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1738804
PubChem	51049656
ChEMBL	CHEMBL1738804

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.