1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid

C20H17FN2O4 — CID 142695967

IUPAC1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid
SMILESCOc1ccccc1-c1nc(C(=O)O)cc(=O)n1CCc1cccc(F)c1
InChIInChI=1S/C20H17FN2O4/c1-27-17-8-3-2-7-15(17)19-22-16(20(25)26)12-18(24)23(19)10-9-13-5-4-6-14(21)11-13/h2-8,11-12H,9-10H2,1H3,(H,25,26)
InChIKeyOSKFQNCXGQIXCS-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.00
Rot. Bonds6

About 1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid

1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid (PubChem CID 142695967) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid
PubChem CID142695967
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid
SMILESCOc1ccccc1-c1nc(C(=O)O)cc(=O)n1CCc1cccc(F)c1
InChIInChI=1S/C20H17FN2O4/c1-27-17-8-3-2-7-15(17)19-22-16(20(25)26)12-18(24)23(19)10-9-13-5-4-6-14(21)11-13/h2-8,11-12H,9-10H2,1H3,(H,25,26)
InChIKeyOSKFQNCXGQIXCS-UHFFFAOYSA-N
XLogP3.00
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one
CID 135401163
CID 135503775
CID 135503775
2-(2-methoxyphenyl)-5,5-dimethyl-3-(2-phenylethyl)-7,8-dihydro-6H-quinazolin-4-one
CID 68933564
2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 143475083
5-butyl-1-[2-(3-fluorophenyl)ethyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid
CID 53300726
2-(2-methoxyphenyl)-3-(2-phenylethyl)-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-4-one
CID 68934354
2-(2-fluoro-3-methoxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one
CID 68929895
3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 78829784
6-[[5-(2-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 24576719
1-(azepan-1-yl)-2-[[5-(2-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 16509573
2-fluoro-3-(5-fluoro-2-methoxyphenyl)benzoic acid
CID 107957266
2-[2-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]-6-(methoxymethyl)-3-(2-phenylethyl)pyrimidin-4-one
CID 143475117

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid (CID 142695967) is 1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid is COc1ccccc1-c1nc(C(=O)O)cc(=O)n1CCc1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid?
The InChIKey is OSKFQNCXGQIXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-27-17-8-3-2-7-15(17)19-22-16(20(25)26)12-18(24)23(19)10-9-13-5-4-6-14(21)11-13/h2-8,11-12H,9-10H2,1H3,(H,25,26).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid?
1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid has a molecular weight of 368.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid is sourced from PubChem (CID 142695967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).