VF6

~{N}-[4-[2,6-bis(azanyl)-5-(2-cyclopropylethyl)pyrimidin-4-yl]phenyl]ethanamide

Created:	2023-03-06
Last modified:	2024-03-13

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1 entries where VF6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	12

2D diagram of VF6

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Chemical Component Summary
Name	~{N}-[4-[2,6-bis(azanyl)-5-(2-cyclopropylethyl)pyrimidin-4-yl]phenyl]ethanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[4-[2,6-bis(azanyl)-5-(2-cyclopropylethyl)pyrimidin-4-yl]phenyl]ethanamide
Formula	C₁₇ H₂₁ N₅ O
Molecular Weight	311.382
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)Nc1ccc(cc1)c2nc(N)nc(N)c2CCC3CC3
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)Nc1ccc(cc1)c2c(c(nc(n2)N)N)CCC3CC3
Canonical SMILES	CACTVS	3.385	CC(=O)Nc1ccc(cc1)c2nc(N)nc(N)c2CCC3CC3
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)Nc1ccc(cc1)c2c(c(nc(n2)N)N)CCC3CC3
InChI	InChI	1.06	InChI=1S/C17H21N5O/c1-10(23)20-13-7-5-12(6-8-13)15-14(9-4-11-2-3-11)16(18)22-17(19)21-15/h5-8,11H,2-4,9H2,1H3,(H,20,23)(H4,18,19,21,22)
InChIKey	InChI	1.06	SCRAMBGYZMQUJK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	170984261

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.