1-[2-(2,6-difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one

C13H10F2N2O2 — CID 55161470

IUPAC1-[2-(2,6-difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C13H10F2N2O2/c1-8-5-16-13(19)17(6-8)7-11(18)12-9(14)3-2-4-10(12)15/h2-6H,7H2,1H3
InChIKeyKBUXANQVSOBMTM-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.71
Rot. Bonds3

About 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one

1-[2-(2,6-difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one (PubChem CID 55161470) has the molecular formula C13H10F2N2O2 and a molecular weight of 264.23 g/mol. Its IUPAC name is 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(2,6-difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one
PubChem CID55161470
Molecular FormulaC13H10F2N2O2
Molecular Weight264.23 g/mol
Exact Mass264.07
IUPAC Name1-[2-(2,6-difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CC(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C13H10F2N2O2/c1-8-5-16-13(19)17(6-8)7-11(18)12-9(14)3-2-4-10(12)15/h2-6H,7H2,1H3
InChIKeyKBUXANQVSOBMTM-UHFFFAOYSA-N
XLogP1.71
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one?
The IUPAC name of 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one (CID 55161470) is 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one?
The canonical SMILES for 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one is Cc1cnc(=O)n(CC(=O)c2c(F)cccc2F)c1.
What is the InChIKey of 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one?
The InChIKey is KBUXANQVSOBMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2/c1-8-5-16-13(19)17(6-8)7-11(18)12-9(14)3-2-4-10(12)15/h2-6H,7H2,1H3.
What are the key properties of 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one?
1-[2-(2,6-difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one has a molecular weight of 264.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 55161470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).