4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid

C13H12N2O5 — CID 4615865

IUPAC4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
SMILESCOc1cc(OC)nc(Oc2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C13H12N2O5/c1-18-10-7-11(19-2)15-13(14-10)20-9-5-3-8(4-6-9)12(16)17/h3-7H,1-2H3,(H,16,17)
InChIKeyHPJQTEWUHMYVKW-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.98
Rot. Bonds5

About 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid

4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid (PubChem CID 4615865) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
PubChem CID4615865
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
SMILESCOc1cc(OC)nc(Oc2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C13H12N2O5/c1-18-10-7-11(19-2)15-13(14-10)20-9-5-3-8(4-6-9)12(16)17/h3-7H,1-2H3,(H,16,17)
InChIKeyHPJQTEWUHMYVKW-UHFFFAOYSA-N
XLogP1.98
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4,6-dimethoxypyrimidin-2-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

2-(4-bromophenoxy)-4,6-dimethoxypyrimidine
CID 113292889
4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline
CID 113292982
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
2-[4-(chloromethyl)phenoxy]-4,6-dimethoxypyrimidine
CID 139084188
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
4-chloro-N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamothioyl]benzamide
CID 141254821
N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamothioyl]-4-fluorobenzamide
CID 141254802
[3-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl] acetate
CID 134120094
3-(4,6-dimethoxypyrimidin-2-yl)oxy-5-methylfuran-2-carboxylic acid
CID 22401097
4-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
CID 15611931

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid?
The IUPAC name of 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid (CID 4615865) is 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid.
What is the SMILES notation for 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid?
The canonical SMILES for 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid is COc1cc(OC)nc(Oc2ccc(C(=O)O)cc2)n1.
What is the InChIKey of 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid?
The InChIKey is HPJQTEWUHMYVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-18-10-7-11(19-2)15-13(14-10)20-9-5-3-8(4-6-9)12(16)17/h3-7H,1-2H3,(H,16,17).
What are the key properties of 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid?
4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid has a molecular weight of 276.25 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid is sourced from PubChem (CID 4615865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).