4-(4-ethoxy-2,5-dimethylphenyl)pyrimidine-5-carboxylic acid

C15H16N2O3 — CID 82488485

IUPAC4-(4-ethoxy-2,5-dimethylphenyl)pyrimidine-5-carboxylic acid
SMILESCCOc1cc(C)c(-c2ncncc2C(=O)O)cc1C
InChIInChI=1S/C15H16N2O3/c1-4-20-13-6-9(2)11(5-10(13)3)14-12(15(18)19)7-16-8-17-14/h5-8H,4H2,1-3H3,(H,18,19)
InChIKeyPHMGQTRKRFHMCL-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.86
Rot. Bonds4

About 4-(4-ethoxy-2,5-dimethylphenyl)pyrimidine-5-carboxylic acid

4-(4-ethoxy-2,5-dimethylphenyl)pyrimidine-5-carboxylic acid (PubChem CID 82488485) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(4-ethoxy-2,5-dimethylphenyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethoxy-2,5-dimethylphenyl)pyrimidine-5-carboxylic acid
PubChem CID82488485
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-(4-ethoxy-2,5-dimethylphenyl)pyrimidine-5-carboxylic acid
SMILESCCOc1cc(C)c(-c2ncncc2C(=O)O)cc1C
InChIInChI=1S/C15H16N2O3/c1-4-20-13-6-9(2)11(5-10(13)3)14-12(15(18)19)7-16-8-17-14/h5-8H,4H2,1-3H3,(H,18,19)
InChIKeyPHMGQTRKRFHMCL-UHFFFAOYSA-N
XLogP2.86
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethoxy-2,5-dimethylphenyl)pyrimidine-5-carboxylic 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-ethoxy-6-methylpyridine-3-carboxylic acid
CID 81230098
4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid
CID 82484332
ethyl 4-phenylpyrimidine-5-carboxylate;4-phenylpyrimidine-5-carboxylic acid
CID 159272594
4-(4-ethoxy-2,5-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 82489030
4-(4-methylphenyl)pyrimidine-5-carboxylic acid
CID 58828782
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018
5-chloro-4-ethoxy-2-methylbenzoic acid
CID 82284593
2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid
CID 82306962
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
4-[(4-ethoxyphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973475
1-(4-ethoxy-2,5-dimethylphenyl)-2-sulfanylethanone
CID 82128115
2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone
CID 82048712

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-2,5-dimethylphenyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(4-ethoxy-2,5-dimethylphenyl)pyrimidine-5-carboxylic acid (CID 82488485) is 4-(4-ethoxy-2,5-dimethylphenyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(4-ethoxy-2,5-dimethylphenyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(4-ethoxy-2,5-dimethylphenyl)pyrimidine-5-carboxylic acid is CCOc1cc(C)c(-c2ncncc2C(=O)O)cc1C.
What is the InChIKey of 4-(4-ethoxy-2,5-dimethylphenyl)pyrimidine-5-carboxylic acid?
The InChIKey is PHMGQTRKRFHMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-4-20-13-6-9(2)11(5-10(13)3)14-12(15(18)19)7-16-8-17-14/h5-8H,4H2,1-3H3,(H,18,19).
What are the key properties of 4-(4-ethoxy-2,5-dimethylphenyl)pyrimidine-5-carboxylic acid?
4-(4-ethoxy-2,5-dimethylphenyl)pyrimidine-5-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-2,5-dimethylphenyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82488485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).