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

C14H14N2O4 — CID 12535799

IUPACethyl 2-(2-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2OC)[nH]c1=O
InChIInChI=1S/C14H14N2O4/c1-3-20-14(18)10-8-15-12(16-13(10)17)9-6-4-5-7-11(9)19-2/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyNTWWWQBBFMYJLO-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.62
Rot. Bonds4

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

ethyl 2-(2-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 12535799) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is ethyl 2-(2-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID12535799
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Nameethyl 2-(2-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2OC)[nH]c1=O
InChIInChI=1S/C14H14N2O4/c1-3-20-14(18)10-8-15-12(16-13(10)17)9-6-4-5-7-11(9)19-2/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyNTWWWQBBFMYJLO-UHFFFAOYSA-N
XLogP1.62
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(2-methoxyphenyl)-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-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(2-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate (CID 12535799) is ethyl 2-(2-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2OC)[nH]c1=O.
What is the InChIKey of ethyl 2-(2-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is NTWWWQBBFMYJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-20-14(18)10-8-15-12(16-13(10)17)9-6-4-5-7-11(9)19-2/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of ethyl 2-(2-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate?
ethyl 2-(2-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 274.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 12535799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).