2-[4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]phenyl]acetic acid

C13H12N2O4S — CID 114574057

IUPAC2-[4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]phenyl]acetic acid
SMILESCOc1c(Sc2ccc(CC(=O)O)cc2)nc[nH]c1=O
InChIInChI=1S/C13H12N2O4S/c1-19-11-12(18)14-7-15-13(11)20-9-4-2-8(3-5-9)6-10(16)17/h2-5,7H,6H2,1H3,(H,16,17)(H,14,15,18)
InChIKeyFEJGLFMCZBMQGE-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.56
Rot. Bonds5

About 2-[4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]phenyl]acetic acid

2-[4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]phenyl]acetic acid (PubChem CID 114574057) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-[4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]phenyl]acetic acid
PubChem CID114574057
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name2-[4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]phenyl]acetic acid
SMILESCOc1c(Sc2ccc(CC(=O)O)cc2)nc[nH]c1=O
InChIInChI=1S/C13H12N2O4S/c1-19-11-12(18)14-7-15-13(11)20-9-4-2-8(3-5-9)6-10(16)17/h2-5,7H,6H2,1H3,(H,16,17)(H,14,15,18)
InChIKeyFEJGLFMCZBMQGE-UHFFFAOYSA-N
XLogP1.56
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]phenyl]acetic 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-[4-(5-chloro-2-methoxypyrimidin-4-yl)sulfanylphenyl]acetic acid
CID 80759135
2-[4-(4-ethylphenyl)sulfanylphenyl]acetic acid
CID 91879301
2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid
CID 107768367
(2R)-2-acetamido-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]propanoic acid
CID 107775172
2-[2-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]phenyl]acetic acid
CID 136959393
2-[4-(4-hydroxy-3-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91879791
2-[4-(5-iodopyrimidin-4-yl)sulfanylphenyl]acetic acid
CID 66340086
2-[4-(2-ethyl-4-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91878983
5-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 136959376
2-[4-(4-iodo-2-methoxyphenyl)sulfanylphenyl]acetic acid
CID 91877992
5-chloro-4-(4-methylphenyl)sulfanyl-1H-pyrimidin-6-one
CID 114790969
2-[4-(2-methylpyrimidin-4-yl)sulfanylphenyl]acetic acid
CID 64929366

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]phenyl]acetic acid (CID 114574057) is 2-[4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]phenyl]acetic acid is COc1c(Sc2ccc(CC(=O)O)cc2)nc[nH]c1=O.
What is the InChIKey of 2-[4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]phenyl]acetic acid?
The InChIKey is FEJGLFMCZBMQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-19-11-12(18)14-7-15-13(11)20-9-4-2-8(3-5-9)6-10(16)17/h2-5,7H,6H2,1H3,(H,16,17)(H,14,15,18).
What are the key properties of 2-[4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]phenyl]acetic acid?
2-[4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]phenyl]acetic acid has a molecular weight of 292.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)sulfanyl]phenyl]acetic acid is sourced from PubChem (CID 114574057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).