ethyl 2-(2-ethoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate

C15H16N2O4 — CID 12535800

IUPACethyl 2-(2-ethoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2OCC)[nH]c1=O
InChIInChI=1S/C15H16N2O4/c1-3-20-12-8-6-5-7-10(12)13-16-9-11(14(18)17-13)15(19)21-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyNTOYIGNATVNWOU-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.01
Rot. Bonds5

About ethyl 2-(2-ethoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate

ethyl 2-(2-ethoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 12535800) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is ethyl 2-(2-ethoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID12535800
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Nameethyl 2-(2-ethoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2OCC)[nH]c1=O
InChIInChI=1S/C15H16N2O4/c1-3-20-12-8-6-5-7-10(12)13-16-9-11(14(18)17-13)15(19)21-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyNTOYIGNATVNWOU-UHFFFAOYSA-N
XLogP2.01
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(2-ethoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(2-ethoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate (CID 12535800) is ethyl 2-(2-ethoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-ethoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(2-ethoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2OCC)[nH]c1=O.
What is the InChIKey of ethyl 2-(2-ethoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is NTOYIGNATVNWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-20-12-8-6-5-7-10(12)13-16-9-11(14(18)17-13)15(19)21-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl 2-(2-ethoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate?
ethyl 2-(2-ethoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 12535800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).