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

C14H14N2O4 — CID 12535886

IUPAC2-(2-ethoxyphenyl)-4-methoxypyrimidine-5-carboxylic acid
SMILESCCOc1ccccc1-c1ncc(C(=O)O)c(OC)n1
InChIInChI=1S/C14H14N2O4/c1-3-20-11-7-5-4-6-9(11)12-15-8-10(14(17)18)13(16-12)19-2/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyNHEITUIABXYPTF-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.25
Rot. Bonds5

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

2-(2-ethoxyphenyl)-4-methoxypyrimidine-5-carboxylic acid (PubChem CID 12535886) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-4-methoxypyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-4-methoxypyrimidine-5-carboxylic acid
PubChem CID12535886
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-(2-ethoxyphenyl)-4-methoxypyrimidine-5-carboxylic acid
SMILESCCOc1ccccc1-c1ncc(C(=O)O)c(OC)n1
InChIInChI=1S/C14H14N2O4/c1-3-20-11-7-5-4-6-9(11)12-15-8-10(14(17)18)13(16-12)19-2/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyNHEITUIABXYPTF-UHFFFAOYSA-N
XLogP2.25
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-4-methoxypyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-ethoxyphenyl)-4-methoxypyrimidine-5-carboxylic acid (CID 12535886) is 2-(2-ethoxyphenyl)-4-methoxypyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxyphenyl)-4-methoxypyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-ethoxyphenyl)-4-methoxypyrimidine-5-carboxylic acid is CCOc1ccccc1-c1ncc(C(=O)O)c(OC)n1.
What is the InChIKey of 2-(2-ethoxyphenyl)-4-methoxypyrimidine-5-carboxylic acid?
The InChIKey is NHEITUIABXYPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-20-11-7-5-4-6-9(11)12-15-8-10(14(17)18)13(16-12)19-2/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-ethoxyphenyl)-4-methoxypyrimidine-5-carboxylic acid?
2-(2-ethoxyphenyl)-4-methoxypyrimidine-5-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-4-methoxypyrimidine-5-carboxylic acid is sourced from PubChem (CID 12535886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).