5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

C9H8N2O3S — CID 82097099

IUPAC5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCc1c(C(=O)O)sc2nc[nH]c(=O)c12
InChIInChI=1S/C9H8N2O3S/c1-2-4-5-7(12)10-3-11-8(5)15-6(4)9(13)14/h3H,2H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyBYRDQYQGCLSWIV-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.25
Rot. Bonds2

About 5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 82097099) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID82097099
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCc1c(C(=O)O)sc2nc[nH]c(=O)c12
InChIInChI=1S/C9H8N2O3S/c1-2-4-5-7(12)10-3-11-8(5)15-6(4)9(13)14/h3H,2H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyBYRDQYQGCLSWIV-UHFFFAOYSA-N
XLogP1.25
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid 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

5-ethyl-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 82097101
ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 731240
butyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 112724737
6-ethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 23330414
(2S)-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 39164951
N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 65312350
2-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
CID 39164975
6-[4-(4-ethylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 46360561
N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 64556977
4-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]pentanoic acid
CID 82032566
(2R)-3-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 39164923
5-methyl-6-(4-phenylpiperazine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 4991094

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid (CID 82097099) is 5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid is CCc1c(C(=O)O)sc2nc[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is BYRDQYQGCLSWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-2-4-5-7(12)10-3-11-8(5)15-6(4)9(13)14/h3H,2H2,1H3,(H,13,14)(H,10,11,12).
What are the key properties of 5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid?
5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 224.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 82097099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).