4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic acid

C13H12N2O3 — CID 115055251

IUPAC4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic acid
SMILESCc1ncc(Oc2ccc(C(=O)O)cc2)c(C)n1
InChIInChI=1S/C13H12N2O3/c1-8-12(7-14-9(2)15-8)18-11-5-3-10(4-6-11)13(16)17/h3-7H,1-2H3,(H,16,17)
InChIKeyWFDFTAPMZDQTLR-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.58
Rot. Bonds3

About 4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic acid

4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic acid (PubChem CID 115055251) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic acid.

Molecular Properties

Compound Name4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic acid
PubChem CID115055251
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic acid
SMILESCc1ncc(Oc2ccc(C(=O)O)cc2)c(C)n1
InChIInChI=1S/C13H12N2O3/c1-8-12(7-14-9(2)15-8)18-11-5-3-10(4-6-11)13(16)17/h3-7H,1-2H3,(H,16,17)
InChIKeyWFDFTAPMZDQTLR-UHFFFAOYSA-N
XLogP2.58
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic 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

[4-(2,4-dimethylpyrimidin-5-yl)oxyphenyl]methanamine
CID 115037235
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
4-[2-[3-fluoro-4-(2-methylpyrimidin-5-yl)phenyl]phenoxy]benzoic acid
CID 118603113
4-(2,3-dimethylphenoxy)benzoic acid
CID 20987074
4-(2,5-dimethylphenoxy)benzoic acid
CID 22684928
4-pyridin-3-yloxybenzoic acid
CID 22261667
4-(2-aminopyrimidin-5-yl)oxybenzoic acid
CID 115038087
1-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]cyclopropane-1-carboxylic acid
CID 141325331
4-quinolin-8-yloxybenzoic acid
CID 28825287
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
4-(4-acetylphenoxy)benzoic acid
CID 60723234
4-(4-iodo-2-methylphenoxy)benzoic acid
CID 165024392

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic acid?
The IUPAC name of 4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic acid (CID 115055251) is 4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic acid.
What is the SMILES notation for 4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic acid?
The canonical SMILES for 4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic acid is Cc1ncc(Oc2ccc(C(=O)O)cc2)c(C)n1.
What is the InChIKey of 4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic acid?
The InChIKey is WFDFTAPMZDQTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8-12(7-14-9(2)15-8)18-11-5-3-10(4-6-11)13(16)17/h3-7H,1-2H3,(H,16,17).
What are the key properties of 4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic acid?
4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic acid has a molecular weight of 244.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic acid is sourced from PubChem (CID 115055251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).