2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid

C15H16N2O3 — CID 115534194

IUPAC2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid
SMILESCCOc1ccccc1-c1ncc(C(=O)O)c(CC)n1
InChIInChI=1S/C15H16N2O3/c1-3-12-11(15(18)19)9-16-14(17-12)10-7-5-6-8-13(10)20-4-2/h5-9H,3-4H2,1-2H3,(H,18,19)
InChIKeyAWQWFGIAKKMDQM-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.80
Rot. Bonds5

About 2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid

2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid (PubChem CID 115534194) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid
PubChem CID115534194
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid
SMILESCCOc1ccccc1-c1ncc(C(=O)O)c(CC)n1
InChIInChI=1S/C15H16N2O3/c1-3-12-11(15(18)19)9-16-14(17-12)10-7-5-6-8-13(10)20-4-2/h5-9H,3-4H2,1-2H3,(H,18,19)
InChIKeyAWQWFGIAKKMDQM-UHFFFAOYSA-N
XLogP2.80
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169072
2-[ethoxy(phenyl)methyl]-4-ethylpyrimidine-5-carboxylic acid
CID 116775115
2-(2-ethoxyphenyl)-5-fluorobenzoic acid
CID 55120835
4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid
CID 82169248
2-ethoxybenzoic acid;zinc
CID 172723273
5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine
CID 66311864
(3R)-3-amino-3-[2-(2-ethoxyphenyl)pyrimidin-5-yl]propanoic acid
CID 40801390
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
ethyl 2-(2-bromo-5-fluorophenyl)-4-ethylpyrimidine-5-carboxylate
CID 107923921
5-(aminomethyl)-2-(2-ethoxyphenyl)pyrimidin-4-amine
CID 115534586
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445826

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid (CID 115534194) is 2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid is CCOc1ccccc1-c1ncc(C(=O)O)c(CC)n1.
What is the InChIKey of 2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid?
The InChIKey is AWQWFGIAKKMDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-12-11(15(18)19)9-16-14(17-12)10-7-5-6-8-13(10)20-4-2/h5-9H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid?
2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 115534194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).