methyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

C9H8N2O3S — CID 725279

IUPACmethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc[nH]c(=O)c2c1C
InChIInChI=1S/C9H8N2O3S/c1-4-5-7(12)10-3-11-8(5)15-6(4)9(13)14-2/h3H,1-2H3,(H,10,11,12)
InChIKeyTUJMJWUVDRWTFM-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.08
Rot. Bonds1

About methyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

methyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 725279) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is methyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID725279
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Namemethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc[nH]c(=O)c2c1C
InChIInChI=1S/C9H8N2O3S/c1-4-5-7(12)10-3-11-8(5)15-6(4)9(13)14-2/h3H,1-2H3,(H,10,11,12)
InChIKeyTUJMJWUVDRWTFM-UHFFFAOYSA-N
XLogP1.08
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-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 methyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate (CID 725279) is methyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1sc2nc[nH]c(=O)c2c1C.
What is the InChIKey of methyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is TUJMJWUVDRWTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-4-5-7(12)10-3-11-8(5)15-6(4)9(13)14-2/h3H,1-2H3,(H,10,11,12).
What are the key properties of methyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate?
methyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 224.24 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 725279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).