2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid

C11H12N2O2S — CID 84798200

IUPAC2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCC(C)(C)c1ncc2cc(C(=O)O)sc2n1
InChIInChI=1S/C11H12N2O2S/c1-11(2,3)10-12-5-6-4-7(9(14)15)16-8(6)13-10/h4-5H,1-3H3,(H,14,15)
InChIKeyJSSOQRGBQRXKAB-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.69
Rot. Bonds1

About 2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid

2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 84798200) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID84798200
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCC(C)(C)c1ncc2cc(C(=O)O)sc2n1
InChIInChI=1S/C11H12N2O2S/c1-11(2,3)10-12-5-6-4-7(9(14)15)16-8(6)13-10/h4-5H,1-3H3,(H,14,15)
InChIKeyJSSOQRGBQRXKAB-UHFFFAOYSA-N
XLogP2.69
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 84798200) is 2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid is CC(C)(C)c1ncc2cc(C(=O)O)sc2n1.
What is the InChIKey of 2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is JSSOQRGBQRXKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-11(2,3)10-12-5-6-4-7(9(14)15)16-8(6)13-10/h4-5H,1-3H3,(H,14,15).
What are the key properties of 2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid?
2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 236.30 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 84798200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).