4-ethoxy-3-methoxy-5-(2-methoxypyrimidin-5-yl)benzoic acid

C15H16N2O5 — CID 167904888

IUPAC4-ethoxy-3-methoxy-5-(2-methoxypyrimidin-5-yl)benzoic acid
SMILESCCOc1c(OC)cc(C(=O)O)cc1-c1cnc(OC)nc1
InChIInChI=1S/C15H16N2O5/c1-4-22-13-11(10-7-16-15(21-3)17-8-10)5-9(14(18)19)6-12(13)20-2/h5-8H,4H2,1-3H3,(H,18,19)
InChIKeyMAOMDHSRNTUMFZ-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.26
Rot. Bonds6

About 4-ethoxy-3-methoxy-5-(2-methoxypyrimidin-5-yl)benzoic acid

4-ethoxy-3-methoxy-5-(2-methoxypyrimidin-5-yl)benzoic acid (PubChem CID 167904888) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-5-(2-methoxypyrimidin-5-yl)benzoic acid.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-5-(2-methoxypyrimidin-5-yl)benzoic acid
PubChem CID167904888
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name4-ethoxy-3-methoxy-5-(2-methoxypyrimidin-5-yl)benzoic acid
SMILESCCOc1c(OC)cc(C(=O)O)cc1-c1cnc(OC)nc1
InChIInChI=1S/C15H16N2O5/c1-4-22-13-11(10-7-16-15(21-3)17-8-10)5-9(14(18)19)6-12(13)20-2/h5-8H,4H2,1-3H3,(H,18,19)
InChIKeyMAOMDHSRNTUMFZ-UHFFFAOYSA-N
XLogP2.26
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethoxy-3-methoxy-5-(2-methoxypyrimidin-5-yl)benzoic 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

6-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimethoxy-phenoxy]-hexanoic acid
CID 21064600
4-{3-[6-(3-Benzo[1,3]dioxol-5-yl-5-pyrimidin-5-yl-phenoxy)-hexyl]-2-(2-carboxy-ethyl)-phenoxy}-butyric acid
CID 25192176
4-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimethoxy-phenoxy]-butyric acid
CID 44269024
7-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimethoxy-phenoxy]-heptanoic acid
CID 44269049
5-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimethoxy-phenoxy]-pentanoic acid
CID 44269053
3-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-phenoxymethyl]-benzoic acid
CID 504028
3-[3-[3-[(2,4-Diaminopyrimidin-5-yl)methyl]-4-methoxy-phenyl]prop-2-ynoxy]benzoic acid
CID 504031
4-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimethoxy-phenylethynyl]-benzoic acid
CID 5271441
5-(4-((2,4-Diaminopyrimidin-5-yl)methyl)-2,6-dimethoxyphenoxy)pentanoic acid
CID 44336146
Trimethoprim propanoic acid
CID 44336196
3-[3-[3-[(2,4-Diaminopyrimidin-5-yl)methyl]-4-methoxy-phenyl]propoxy]benzoic acid
CID 5271420
Trimethoprim pentanoic acid
CID 12752285

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-5-(2-methoxypyrimidin-5-yl)benzoic acid?
The IUPAC name of 4-ethoxy-3-methoxy-5-(2-methoxypyrimidin-5-yl)benzoic acid (CID 167904888) is 4-ethoxy-3-methoxy-5-(2-methoxypyrimidin-5-yl)benzoic acid.
What is the SMILES notation for 4-ethoxy-3-methoxy-5-(2-methoxypyrimidin-5-yl)benzoic acid?
The canonical SMILES for 4-ethoxy-3-methoxy-5-(2-methoxypyrimidin-5-yl)benzoic acid is CCOc1c(OC)cc(C(=O)O)cc1-c1cnc(OC)nc1.
What is the InChIKey of 4-ethoxy-3-methoxy-5-(2-methoxypyrimidin-5-yl)benzoic acid?
The InChIKey is MAOMDHSRNTUMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-4-22-13-11(10-7-16-15(21-3)17-8-10)5-9(14(18)19)6-12(13)20-2/h5-8H,4H2,1-3H3,(H,18,19).
What are the key properties of 4-ethoxy-3-methoxy-5-(2-methoxypyrimidin-5-yl)benzoic acid?
4-ethoxy-3-methoxy-5-(2-methoxypyrimidin-5-yl)benzoic acid has a molecular weight of 304.30 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-5-(2-methoxypyrimidin-5-yl)benzoic acid is sourced from PubChem (CID 167904888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).