5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

C8H6N2O2S — CID 82372555

IUPAC5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncncc12
InChIInChI=1S/C8H6N2O2S/c1-4-5-2-9-3-10-7(5)13-6(4)8(11)12/h2-3H,1H3,(H,11,12)
InChIKeySGMGXAUOLCYSMD-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.70
Rot. Bonds1

About 5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 82372555) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID82372555
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1c(C(=O)O)sc2ncncc12
InChIInChI=1S/C8H6N2O2S/c1-4-5-2-9-3-10-7(5)13-6(4)8(11)12/h2-3H,1H3,(H,11,12)
InChIKeySGMGXAUOLCYSMD-UHFFFAOYSA-N
XLogP1.70
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 82372555) is 5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1c(C(=O)O)sc2ncncc12.
What is the InChIKey of 5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is SGMGXAUOLCYSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c1-4-5-2-9-3-10-7(5)13-6(4)8(11)12/h2-3H,1H3,(H,11,12).
What are the key properties of 5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 194.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 82372555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).