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

C9H8N2O3S — CID 82128077

IUPAC3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxylic acid
SMILESCc1csc2nc(C(=O)O)n(C)c(=O)c12
InChIInChI=1S/C9H8N2O3S/c1-4-3-15-7-5(4)8(12)11(2)6(10-7)9(13)14/h3H,1-2H3,(H,13,14)
InChIKeyLZBXCVJHIRTWCR-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.00
Rot. Bonds1

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

3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxylic acid (PubChem CID 82128077) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxylic acid
PubChem CID82128077
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxylic acid
SMILESCc1csc2nc(C(=O)O)n(C)c(=O)c12
InChIInChI=1S/C9H8N2O3S/c1-4-3-15-7-5(4)8(12)11(2)6(10-7)9(13)14/h3H,1-2H3,(H,13,14)
InChIKeyLZBXCVJHIRTWCR-UHFFFAOYSA-N
XLogP1.00
TPSA72.19 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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidine-5-carboxylic acid
CID 82058901
12-acetyl-4-methyl-6-thia-1,8,12-triazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one
CID 92563971
4-bromo-5-methylthieno[2,3-d]pyrimidine-2-carboxylic acid
CID 82378972
methyl 4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-12-carboxylate
CID 12862360
3-(2-carboxyethyl)-2-methyl-4-oxothieno[2,3-d]pyrimidine-5-carboxylic acid
CID 82058839
2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
CID 83814254
(2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051751
3,5-dimethyl-2-[[4-[4-(2-piperidin-1-ylethoxy)benzoyl]phenyl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 18919160
2-[3,6-dimethyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]propanoic acid
CID 66604542
2-[4-[[5-methyl-2-[(2S)-2-methylazetidin-1-yl]thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid
CID 156555193
3,5-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 16768429
4-chloro-5-methylthieno[2,3-d]pyrimidin-2-amine
CID 130116103

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxylic acid?
The IUPAC name of 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxylic acid (CID 82128077) is 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxylic acid is Cc1csc2nc(C(=O)O)n(C)c(=O)c12.
What is the InChIKey of 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxylic acid?
The InChIKey is LZBXCVJHIRTWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-4-3-15-7-5(4)8(12)11(2)6(10-7)9(13)14/h3H,1-2H3,(H,13,14).
What are the key properties of 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxylic acid?
3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxylic acid has a molecular weight of 224.24 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 82128077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).