ethyl 5-methyl-4-oxo-3H-thieno[3,4-d]pyrimidine-7-carboxylate

C10H10N2O3S — CID 135452113

IUPACethyl 5-methyl-4-oxo-3H-thieno[3,4-d]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1sc(C)c2c(=O)[nH]cnc12
InChIInChI=1S/C10H10N2O3S/c1-3-15-10(14)8-7-6(5(2)16-8)9(13)12-4-11-7/h4H,3H2,1-2H3,(H,11,12,13)
InChIKeyQTEVXQPTSXEHKQ-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.47
Rot. Bonds2

About ethyl 5-methyl-4-oxo-3H-thieno[3,4-d]pyrimidine-7-carboxylate

ethyl 5-methyl-4-oxo-3H-thieno[3,4-d]pyrimidine-7-carboxylate (PubChem CID 135452113) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is ethyl 5-methyl-4-oxo-3H-thieno[3,4-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-4-oxo-3H-thieno[3,4-d]pyrimidine-7-carboxylate
PubChem CID135452113
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Nameethyl 5-methyl-4-oxo-3H-thieno[3,4-d]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1sc(C)c2c(=O)[nH]cnc12
InChIInChI=1S/C10H10N2O3S/c1-3-15-10(14)8-7-6(5(2)16-8)9(13)12-4-11-7/h4H,3H2,1-2H3,(H,11,12,13)
InChIKeyQTEVXQPTSXEHKQ-UHFFFAOYSA-N
XLogP1.47
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-methyl-4-oxo-3H-thieno[3,4-d]pyrimidine-7-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 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 731240
Methyl 3-amino-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 722597
3-Amino-5-methyl-4-[[3-(4-morpholinyl)propylamino]-oxomethyl]-2-thiophenecarboxylic acid ethyl ester
CID 658837
Ethyl 3-(2-ethoxy-2-oxoethyl)-2,5-dimethyl-4-oxo-3,4-dihydrothieno[3,4-d]pyrimidine-7-carboxylate
CID 878399
Ethyl 3-amino-4-((3-(dimethylamino)-2,2-dimethylpropyl)carbamoyl)-5-methylthiophene-2-carboxylate
CID 1911604
Ethyl 1,4-dihydro-2,5-dimethyl-4-oxothieno(2,3-d)pyrimidine-6-carboxylate
CID 336248
6,6-dimethyl-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
CID 740872
Ethyl 3-ethyl-5-methyl-4-oxo-3,4-dihydrothieno[3,4-d][1,2,3]triazine-7-carboxylate
CID 660050
5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester
CID 733576
Cyclohexyl 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 735016
Ethyl 3-[2-(butylamino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 1689085
(E)-ethyl 3-(((dimethylamino)methylene)amino)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 9554440

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-4-oxo-3H-thieno[3,4-d]pyrimidine-7-carboxylate?
The IUPAC name of ethyl 5-methyl-4-oxo-3H-thieno[3,4-d]pyrimidine-7-carboxylate (CID 135452113) is ethyl 5-methyl-4-oxo-3H-thieno[3,4-d]pyrimidine-7-carboxylate.
What is the SMILES notation for ethyl 5-methyl-4-oxo-3H-thieno[3,4-d]pyrimidine-7-carboxylate?
The canonical SMILES for ethyl 5-methyl-4-oxo-3H-thieno[3,4-d]pyrimidine-7-carboxylate is CCOC(=O)c1sc(C)c2c(=O)[nH]cnc12.
What is the InChIKey of ethyl 5-methyl-4-oxo-3H-thieno[3,4-d]pyrimidine-7-carboxylate?
The InChIKey is QTEVXQPTSXEHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-3-15-10(14)8-7-6(5(2)16-8)9(13)12-4-11-7/h4H,3H2,1-2H3,(H,11,12,13).
What are the key properties of ethyl 5-methyl-4-oxo-3H-thieno[3,4-d]pyrimidine-7-carboxylate?
ethyl 5-methyl-4-oxo-3H-thieno[3,4-d]pyrimidine-7-carboxylate has a molecular weight of 238.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-4-oxo-3H-thieno[3,4-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 135452113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).