4-Methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid

C13H12N2O4 — CID 62770062

IUPAC4-methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid
SMILESCC1=NC=CC(=N1)OC2=C(C=CC(=C2)OC)C(=O)O
InChIInChI=1S/C13H12N2O4/c1-8-14-6-5-12(15-8)19-11-7-9(18-2)3-4-10(11)13(16)17/h3-7H,1-2H3,(H,16,17)
InChIKeyCPXPHGNUGNBCNF-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.00
Rot. Bonds4

About 4-Methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid

4-Methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid (PubChem CID 62770062) has the molecular formula C13H12N2O4 and a molecular weight of 260.24 g/mol. Its IUPAC name is 4-methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name4-Methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid
PubChem CID62770062
Molecular FormulaC13H12N2O4
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name4-methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid
SMILESCC1=NC=CC(=N1)OC2=C(C=CC(=C2)OC)C(=O)O
InChIInChI=1S/C13H12N2O4/c1-8-14-6-5-12(15-8)19-11-7-9(18-2)3-4-10(11)13(16)17/h3-7H,1-2H3,(H,16,17)
InChIKeyCPXPHGNUGNBCNF-UHFFFAOYSA-N
XLogP2.00
TPSA81.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity313

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-Methoxy-2-(2-methylpyrimidin-4-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

Frequently Asked Questions

What is the IUPAC name of 4-Methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid?
The IUPAC name of 4-Methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid (CID 62770062) is 4-methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid.
What is the SMILES notation for 4-Methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid?
The canonical SMILES for 4-Methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid is CC1=NC=CC(=N1)OC2=C(C=CC(=C2)OC)C(=O)O.
What is the InChIKey of 4-Methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid?
The InChIKey is CPXPHGNUGNBCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-14-6-5-12(15-8)19-11-7-9(18-2)3-4-10(11)13(16)17/h3-7H,1-2H3,(H,16,17).
What are the key properties of 4-Methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid?
4-Methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid has a molecular weight of 260.24 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid is sourced from PubChem (CID 62770062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).