1-[2-(3,4-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

C14H12F2N2O2 — CID 62016948

IUPAC1-[2-(3,4-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)c2ccc(F)c(F)c2)c(=O)n1
InChIInChI=1S/C14H12F2N2O2/c1-8-5-9(2)18(14(20)17-8)7-13(19)10-3-4-11(15)12(16)6-10/h3-6H,7H2,1-2H3
InChIKeyUORBAUFPADBKLZ-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.02
Rot. Bonds3

About 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one

1-[2-(3,4-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 62016948) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID62016948
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name1-[2-(3,4-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)c2ccc(F)c(F)c2)c(=O)n1
InChIInChI=1S/C14H12F2N2O2/c1-8-5-9(2)18(14(20)17-8)7-13(19)10-3-4-11(15)12(16)6-10/h3-6H,7H2,1-2H3
InChIKeyUORBAUFPADBKLZ-UHFFFAOYSA-N
XLogP2.02
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (CID 62016948) is 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CC(=O)c2ccc(F)c(F)c2)c(=O)n1.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is UORBAUFPADBKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-8-5-9(2)18(14(20)17-8)7-13(19)10-3-4-11(15)12(16)6-10/h3-6H,7H2,1-2H3.
What are the key properties of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-(3,4-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 278.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 62016948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).