2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid

C10H10N2O3S — CID 3245705

IUPAC2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2nc(C)n(C)c(=O)c12
InChIInChI=1S/C10H10N2O3S/c1-4-6-8(16-7(4)10(14)15)11-5(2)12(3)9(6)13/h1-3H3,(H,14,15)
InChIKeyYQHDBNOFPHRZGM-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.31
Rot. Bonds1

About 2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid

2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 3245705) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID3245705
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2nc(C)n(C)c(=O)c12
InChIInChI=1S/C10H10N2O3S/c1-4-6-8(16-7(4)10(14)15)11-5(2)12(3)9(6)13/h1-3H3,(H,14,15)
InChIKeyYQHDBNOFPHRZGM-UHFFFAOYSA-N
XLogP1.31
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 655202
Ethyl 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 731240
5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 405802
Methyl 3-amino-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 722597
Ethyl 3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxylate
CID 785253
3-Methyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]thieno[2,3-d]pyrimidine-2-carboxylic acid
CID 2400438
Ethyl 1,4-dihydro-2,5-dimethyl-4-oxothieno(2,3-d)pyrimidine-6-carboxylate
CID 336248
4-Methyl-2-oxo-6-thia-1,8-diazatricyclo(7.5.0.0,3,7)tetradeca-3(7),4,8-triene-5-carboxylic acid
CID 2393539
3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)propanoic acid
CID 646263
2-(2-ethoxy-2-oxoethyl)sulfanyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 2144617
5-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 2458943
3,8-dimethyl-4-oxo-7,8,9,10-tetrahydro-6H-thieno[1,2]pyrimido[4,5-a]azepine-2-carboxylic acid ethyl ester
CID 3239190

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid (CID 3245705) is 2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2nc(C)n(C)c(=O)c12.
What is the InChIKey of 2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is YQHDBNOFPHRZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-4-6-8(16-7(4)10(14)15)11-5(2)12(3)9(6)13/h1-3H3,(H,14,15).
What are the key properties of 2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid?
2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 238.27 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 3245705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).