2-methylthieno[3,2-d]pyrimidine-4-carboxylic acid

C8H6N2O2S — CID 53487294

IUPAC2-methylthieno[3,2-d]pyrimidine-4-carboxylic acid
SMILESCc1nc(C(=O)O)c2sccc2n1
InChIInChI=1S/C8H6N2O2S/c1-4-9-5-2-3-13-7(5)6(10-4)8(11)12/h2-3H,1H3,(H,11,12)
InChIKeyPBOKHEBJHAJCBQ-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.70
Rot. Bonds1

About 2-methylthieno[3,2-d]pyrimidine-4-carboxylic acid

2-methylthieno[3,2-d]pyrimidine-4-carboxylic acid (PubChem CID 53487294) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-methylthieno[3,2-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methylthieno[3,2-d]pyrimidine-4-carboxylic acid
PubChem CID53487294
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name2-methylthieno[3,2-d]pyrimidine-4-carboxylic acid
SMILESCc1nc(C(=O)O)c2sccc2n1
InChIInChI=1S/C8H6N2O2S/c1-4-9-5-2-3-13-7(5)6(10-4)8(11)12/h2-3H,1H3,(H,11,12)
InChIKeyPBOKHEBJHAJCBQ-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 2-methylthieno[3,2-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-methylthieno[3,2-d]pyrimidine-4-carboxylic acid (CID 53487294) is 2-methylthieno[3,2-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-methylthieno[3,2-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-methylthieno[3,2-d]pyrimidine-4-carboxylic acid is Cc1nc(C(=O)O)c2sccc2n1.
What is the InChIKey of 2-methylthieno[3,2-d]pyrimidine-4-carboxylic acid?
The InChIKey is PBOKHEBJHAJCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c1-4-9-5-2-3-13-7(5)6(10-4)8(11)12/h2-3H,1H3,(H,11,12).
What are the key properties of 2-methylthieno[3,2-d]pyrimidine-4-carboxylic acid?
2-methylthieno[3,2-d]pyrimidine-4-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 2-methylthieno[3,2-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 53487294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).