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

C14H12F2N2O2 — CID 62017308

IUPAC1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)c2c(F)cccc2F)c(=O)n1
InChIInChI=1S/C14H12F2N2O2/c1-8-6-9(2)18(14(20)17-8)7-12(19)13-10(15)4-3-5-11(13)16/h3-6H,7H2,1-2H3
InChIKeyBMQDQUSJZUGPRI-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.02
Rot. Bonds3

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

1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 62017308) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID62017308
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)c2c(F)cccc2F)c(=O)n1
InChIInChI=1S/C14H12F2N2O2/c1-8-6-9(2)18(14(20)17-8)7-12(19)13-10(15)4-3-5-11(13)16/h3-6H,7H2,1-2H3
InChIKeyBMQDQUSJZUGPRI-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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Related Compounds

1-(2-Oxo-2-phenylethyl)-1,2-dihydropyrimidin-2-one
CID 61225653
3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]-3aH-benzimidazol-2-one
CID 24870726
5-Fluoro-1-phenacylpyrimidin-2-one
CID 12795536
5-Chloro-1-(4-fluorophenacyl)pyrimidin-2-one
CID 12795547
1-[2-(3,4-Difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one
CID 63172566
3-Methyl-1-[2-oxo-2-(2,4,5-trifluorophenyl)ethyl]pyridin-2-one
CID 89628327
3-Methyl-1-[2-oxo-2-(3,4,5-trifluorophenyl)ethyl]pyridin-2-one
CID 89628452
(E)-4-amino-3-fluoro-1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-iminopent-3-en-1-one
CID 90191836
(7R)-7-ethyl-1-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-8-propan-2-yl-2,7-dihydropteridin-6-one
CID 117815506
(E)-4-amino-3-fluoro-1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-iminohex-3-en-1-one
CID 143653756
4-Amino-2-ethylimino-1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]pent-3-en-1-one
CID 147419422
N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3,4-difluorophenyl)-2-oxoethyl]formamide
CID 177328768

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (CID 62017308) is 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CC(=O)c2c(F)cccc2F)c(=O)n1.
What is the InChIKey of 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is BMQDQUSJZUGPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-8-6-9(2)18(14(20)17-8)7-12(19)13-10(15)4-3-5-11(13)16/h3-6H,7H2,1-2H3.
What are the key properties of 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-(2,6-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-(2,6-difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 62017308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).