2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid

C13H12N2O3S — CID 106973530

IUPAC2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid
SMILESCSc1cc(Oc2ccccc2CC(=O)O)ncn1
InChIInChI=1S/C13H12N2O3S/c1-19-12-7-11(14-8-15-12)18-10-5-3-2-4-9(10)6-13(16)17/h2-5,7-8H,6H2,1H3,(H,16,17)
InChIKeyZGHVYFVAERUYFU-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.62
Rot. Bonds5

About 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid

2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid (PubChem CID 106973530) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid
PubChem CID106973530
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid
SMILESCSc1cc(Oc2ccccc2CC(=O)O)ncn1
InChIInChI=1S/C13H12N2O3S/c1-19-12-7-11(14-8-15-12)18-10-5-3-2-4-9(10)6-13(16)17/h2-5,7-8H,6H2,1H3,(H,16,17)
InChIKeyZGHVYFVAERUYFU-UHFFFAOYSA-N
XLogP2.62
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]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-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107713792
2-(6-methylsulfanylpyrimidin-4-yl)oxyphenol
CID 106973405
2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid
CID 116820304
2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid
CID 116820289
2-[6-(2-methoxyphenoxy)pyrimidin-4-yl]acetic acid
CID 116820301
3-methoxy-2-(6-methylsulfanylpyrimidin-4-yl)oxybenzoic acid
CID 106973520
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
2-(2-quinoxalin-2-yloxyphenyl)acetic acid
CID 80735910
2-[2-[(4-cyano-2-pyridinyl)oxy]phenyl]acetic acid
CID 80741750
2-(2-pyrimidin-2-yloxyphenyl)acetic acid
CID 70166639
methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]acetate
CID 11187557
2-chloro-5-(6-methylsulfanylpyrimidin-4-yl)oxybenzoic acid
CID 106973535

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid?
The IUPAC name of 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid (CID 106973530) is 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid?
The canonical SMILES for 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid is CSc1cc(Oc2ccccc2CC(=O)O)ncn1.
What is the InChIKey of 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid?
The InChIKey is ZGHVYFVAERUYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-19-12-7-11(14-8-15-12)18-10-5-3-2-4-9(10)6-13(16)17/h2-5,7-8H,6H2,1H3,(H,16,17).
What are the key properties of 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid?
2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid has a molecular weight of 276.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methylsulfanylpyrimidin-4-yl)oxyphenyl]acetic acid is sourced from PubChem (CID 106973530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).