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

C16H18N2O5 — CID 12535820

IUPACethyl 2-(2-ethoxy-5-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cc(OC)ccc2OCC)[nH]c1=O
InChIInChI=1S/C16H18N2O5/c1-4-22-13-7-6-10(21-3)8-11(13)14-17-9-12(15(19)18-14)16(20)23-5-2/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeySZAPQCRZWBQNCT-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.02
Rot. Bonds6

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

ethyl 2-(2-ethoxy-5-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 12535820) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is ethyl 2-(2-ethoxy-5-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxy-5-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID12535820
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Nameethyl 2-(2-ethoxy-5-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cc(OC)ccc2OCC)[nH]c1=O
InChIInChI=1S/C16H18N2O5/c1-4-22-13-7-6-10(21-3)8-11(13)14-17-9-12(15(19)18-14)16(20)23-5-2/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeySZAPQCRZWBQNCT-UHFFFAOYSA-N
XLogP2.02
TPSA90.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(2-ethoxy-5-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

Related Compounds

ethyl 2-(2-methoxy-5-sulfamoylphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 127244382
ethyl 2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 62022472
ethyl 2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 107921729
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate
CID 12901694
ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490254
ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate
CID 132851457
ethyl 2-bromo-4-methoxybenzoate
CID 46311272
ethyl 4-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
CID 66865733
ethyl 5-methoxy-2-(2-oxopropyl)benzoate
CID 134645022
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
ethyl 2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 89471593

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxy-5-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(2-ethoxy-5-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate (CID 12535820) is ethyl 2-(2-ethoxy-5-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-ethoxy-5-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(2-ethoxy-5-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2cc(OC)ccc2OCC)[nH]c1=O.
What is the InChIKey of ethyl 2-(2-ethoxy-5-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is SZAPQCRZWBQNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-4-22-13-7-6-10(21-3)8-11(13)14-17-9-12(15(19)18-14)16(20)23-5-2/h6-9H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of ethyl 2-(2-ethoxy-5-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate?
ethyl 2-(2-ethoxy-5-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 318.33 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxy-5-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 12535820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).