1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone

C18H15FN4O2 — CID 147632074

IUPAC1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone
SMILESCCc1cc(Oc2cncnc2)cc(C(=O)Cc2cccc(F)n2)n1
InChIInChI=1S/C18H15FN4O2/c1-2-12-6-14(25-15-9-20-11-21-10-15)8-16(22-12)17(24)7-13-4-3-5-18(19)23-13/h3-6,8-11H,2,7H2,1H3
InChIKeyGFXFFPVJNWDUEM-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.19
Rot. Bonds6

About 1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone

1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone (PubChem CID 147632074) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone
PubChem CID147632074
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone
SMILESCCc1cc(Oc2cncnc2)cc(C(=O)Cc2cccc(F)n2)n1
InChIInChI=1S/C18H15FN4O2/c1-2-12-6-14(25-15-9-20-11-21-10-15)8-16(22-12)17(24)7-13-4-3-5-18(19)23-13/h3-6,8-11H,2,7H2,1H3
InChIKeyGFXFFPVJNWDUEM-UHFFFAOYSA-N
XLogP3.19
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone with MolForge

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Related Compounds

2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318837
1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 149081483
1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone)
CID 158496788
bis(1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 162083708
2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-ethynyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanone
CID 159938840
2-(5-fluoro-6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349276
1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 58318859
2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349295
2-(5-fluoro-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 157270549
2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123785389
1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]ethanone
CID 58318884
2-(6-chloro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone
CID 58349293

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone?
The IUPAC name of 1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone (CID 147632074) is 1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone?
The canonical SMILES for 1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone is CCc1cc(Oc2cncnc2)cc(C(=O)Cc2cccc(F)n2)n1.
What is the InChIKey of 1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone?
The InChIKey is GFXFFPVJNWDUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-2-12-6-14(25-15-9-20-11-21-10-15)8-16(22-12)17(24)7-13-4-3-5-18(19)23-13/h3-6,8-11H,2,7H2,1H3.
What are the key properties of 1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone?
1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone has a molecular weight of 338.34 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone is sourced from PubChem (CID 147632074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).