ethyl 6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxylate

C11H10N2O3S — CID 2746015

IUPACethyl 6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C11H10N2O3S/c1-2-16-11(15)7-6-12-9(13-10(7)14)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyUBNYZBKFNMZPBE-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.68
Rot. Bonds3

About ethyl 6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxylate

ethyl 6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxylate (PubChem CID 2746015) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is ethyl 6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxylate
PubChem CID2746015
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Nameethyl 6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C11H10N2O3S/c1-2-16-11(15)7-6-12-9(13-10(7)14)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyUBNYZBKFNMZPBE-UHFFFAOYSA-N
XLogP1.68
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 6-oxo-2-thiophen-2-yl-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 6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxylate (CID 2746015) is ethyl 6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2cccs2)[nH]c1=O.
What is the InChIKey of ethyl 6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxylate?
The InChIKey is UBNYZBKFNMZPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-2-16-11(15)7-6-12-9(13-10(7)14)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,12,13,14).
What are the key properties of ethyl 6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxylate?
ethyl 6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxylate has a molecular weight of 250.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-2-thiophen-2-yl-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2746015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).