1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione

C13H11FN2O4 — CID 62023747

IUPAC1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(C(=O)Cn2ccc(=O)[nH]c2=O)cc1F
InChIInChI=1S/C13H11FN2O4/c1-20-11-3-2-8(6-9(11)14)10(17)7-16-5-4-12(18)15-13(16)19/h2-6H,7H2,1H3,(H,15,18,19)
InChIKeyPFOSPRIWCYLIHT-UHFFFAOYSA-N
MW278.24 g/mol
LogP0.57
Rot. Bonds4

About 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione

1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 62023747) has the molecular formula C13H11FN2O4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID62023747
Molecular FormulaC13H11FN2O4
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Name1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(C(=O)Cn2ccc(=O)[nH]c2=O)cc1F
InChIInChI=1S/C13H11FN2O4/c1-20-11-3-2-8(6-9(11)14)10(17)7-16-5-4-12(18)15-13(16)19/h2-6H,7H2,1H3,(H,15,18,19)
InChIKeyPFOSPRIWCYLIHT-UHFFFAOYSA-N
XLogP0.57
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1H-imidazol-2-one
CID 22456831
1-[2-(4-iodophenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62023373
1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7549299
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate
CID 90480570
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone
CID 62052732
2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135929202
N-[(2,5-dimethoxyphenyl)methyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 33103569
3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 18123516
1-(3-fluoro-4-methoxyphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62023135
4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione
CID 66062364
methyl 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5-nitro-6-oxopyridine-3-carboxylate
CID 55667475

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione (CID 62023747) is 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione is COc1ccc(C(=O)Cn2ccc(=O)[nH]c2=O)cc1F.
What is the InChIKey of 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is PFOSPRIWCYLIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4/c1-20-11-3-2-8(6-9(11)14)10(17)7-16-5-4-12(18)15-13(16)19/h2-6H,7H2,1H3,(H,15,18,19).
What are the key properties of 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 278.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 62023747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).