2-[1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid

C13H12N2O4S — CID 62404880

IUPAC2-[1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
SMILESCOc1ccccc1-n1ccc(=O)nc1SCC(=O)O
InChIInChI=1S/C13H12N2O4S/c1-19-10-5-3-2-4-9(10)15-7-6-11(16)14-13(15)20-8-12(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyDZNYMBPZEARHBD-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.42
Rot. Bonds5

About 2-[1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid

2-[1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid (PubChem CID 62404880) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
PubChem CID62404880
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name2-[1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
SMILESCOc1ccccc1-n1ccc(=O)nc1SCC(=O)O
InChIInChI=1S/C13H12N2O4S/c1-19-10-5-3-2-4-9(10)15-7-6-11(16)14-13(15)20-8-12(17)18/h2-7H,8H2,1H3,(H,17,18)
InChIKeyDZNYMBPZEARHBD-UHFFFAOYSA-N
XLogP1.42
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic 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

2-[1-(4-fluoro-3-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 114840818
2-[1-(3-fluoro-4-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62405043
2-[1-(2,5-difluorophenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62404159
2-[1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62404177
2-[1-(2-chloro-4-methylphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62403107
2-[1-(2,6-difluorophenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62403472
2-[1-[4-(dimethylamino)phenyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62403628
2-[1-(3-iodophenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62403288
2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
CID 3042664
2-[1-(2-methoxyphenyl)-2-methylimidazol-4-yl]acetic acid
CID 82295182
2-(4-oxo-1-pentan-2-ylpyrimidin-2-yl)sulfanylacetic acid
CID 62403638
2-[[4-(2-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 29065222

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid (CID 62404880) is 2-[1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid is COc1ccccc1-n1ccc(=O)nc1SCC(=O)O.
What is the InChIKey of 2-[1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid?
The InChIKey is DZNYMBPZEARHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-19-10-5-3-2-4-9(10)15-7-6-11(16)14-13(15)20-8-12(17)18/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 2-[1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid?
2-[1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid has a molecular weight of 292.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 62404880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).