1-(5-fluoro-2,6-diphenylpyrimidin-4-yl)ethanone

C18H13FN2O — CID 138970267

IUPAC1-(5-fluoro-2,6-diphenylpyrimidin-4-yl)ethanone
SMILESCC(=O)c1nc(-c2ccccc2)nc(-c2ccccc2)c1F
InChIInChI=1S/C18H13FN2O/c1-12(22)16-15(19)17(13-8-4-2-5-9-13)21-18(20-16)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyNNYZGCZEKDZPPV-UHFFFAOYSA-N
MW292.31 g/mol
LogP4.15
Rot. Bonds3

About 1-(5-fluoro-2,6-diphenylpyrimidin-4-yl)ethanone

1-(5-fluoro-2,6-diphenylpyrimidin-4-yl)ethanone (PubChem CID 138970267) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-(5-fluoro-2,6-diphenylpyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2,6-diphenylpyrimidin-4-yl)ethanone
PubChem CID138970267
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name1-(5-fluoro-2,6-diphenylpyrimidin-4-yl)ethanone
SMILESCC(=O)c1nc(-c2ccccc2)nc(-c2ccccc2)c1F
InChIInChI=1S/C18H13FN2O/c1-12(22)16-15(19)17(13-8-4-2-5-9-13)21-18(20-16)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyNNYZGCZEKDZPPV-UHFFFAOYSA-N
XLogP4.15
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,6-diphenylpyrimidin-4-yl)ethanone?
The IUPAC name of 1-(5-fluoro-2,6-diphenylpyrimidin-4-yl)ethanone (CID 138970267) is 1-(5-fluoro-2,6-diphenylpyrimidin-4-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2,6-diphenylpyrimidin-4-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-2,6-diphenylpyrimidin-4-yl)ethanone is CC(=O)c1nc(-c2ccccc2)nc(-c2ccccc2)c1F.
What is the InChIKey of 1-(5-fluoro-2,6-diphenylpyrimidin-4-yl)ethanone?
The InChIKey is NNYZGCZEKDZPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O/c1-12(22)16-15(19)17(13-8-4-2-5-9-13)21-18(20-16)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of 1-(5-fluoro-2,6-diphenylpyrimidin-4-yl)ethanone?
1-(5-fluoro-2,6-diphenylpyrimidin-4-yl)ethanone has a molecular weight of 292.31 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,6-diphenylpyrimidin-4-yl)ethanone is sourced from PubChem (CID 138970267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).