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

C9H8N2O2S — CID 82395386

IUPAC2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1ncc2c(C)c(C(=O)O)sc2n1
InChIInChI=1S/C9H8N2O2S/c1-4-6-3-10-5(2)11-8(6)14-7(4)9(12)13/h3H,1-2H3,(H,12,13)
InChIKeyUKJLULKRNKEOKV-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.01
Rot. Bonds1

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

2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 82395386) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID82395386
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1ncc2c(C)c(C(=O)O)sc2n1
InChIInChI=1S/C9H8N2O2S/c1-4-6-3-10-5(2)11-8(6)14-7(4)9(12)13/h3H,1-2H3,(H,12,13)
InChIKeyUKJLULKRNKEOKV-UHFFFAOYSA-N
XLogP2.01
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 82395386) is 2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1ncc2c(C)c(C(=O)O)sc2n1.
What is the InChIKey of 2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is UKJLULKRNKEOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-4-6-3-10-5(2)11-8(6)14-7(4)9(12)13/h3H,1-2H3,(H,12,13).
What are the key properties of 2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid?
2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 82395386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).