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

C10H10N2O3S — CID 82097101

IUPAC5-ethyl-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCc1c(C(=O)O)sc2nc(C)[nH]c(=O)c12
InChIInChI=1S/C10H10N2O3S/c1-3-5-6-8(13)11-4(2)12-9(6)16-7(5)10(14)15/h3H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyBZDRAQLYDIWQMQ-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.55
Rot. Bonds2

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

5-ethyl-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 82097101) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 5-ethyl-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID82097101
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name5-ethyl-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCc1c(C(=O)O)sc2nc(C)[nH]c(=O)c12
InChIInChI=1S/C10H10N2O3S/c1-3-5-6-8(13)11-4(2)12-9(6)16-7(5)10(14)15/h3H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyBZDRAQLYDIWQMQ-UHFFFAOYSA-N
XLogP1.55
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 82097099
5,6-diethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylic acid
CID 143679465
2-oxopropyl 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 42978314
2-amino-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055580
2-[(2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]hexanoic acid
CID 82032721
[2-(4-ethylanilino)-2-oxoethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7625490
[2-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 4844438
N-cyclopropyl-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 39084641
[2-(N-ethylanilino)-2-oxoethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7625560
(2-morpholin-4-yl-2-oxoethyl) 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7625399
ethyl 2-(1-hydroxyethenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 143679539
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 7625402

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-ethyl-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid (CID 82097101) is 5-ethyl-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-ethyl-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid is CCc1c(C(=O)O)sc2nc(C)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is BZDRAQLYDIWQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-3-5-6-8(13)11-4(2)12-9(6)16-7(5)10(14)15/h3H2,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 5-ethyl-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid?
5-ethyl-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 238.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 82097101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).