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

C8H5BrN2O2S — CID 84809918

IUPAC5-bromo-2-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1ncc2c(Br)c(C(=O)O)sc2n1
InChIInChI=1S/C8H5BrN2O2S/c1-3-10-2-4-5(9)6(8(12)13)14-7(4)11-3/h2H,1H3,(H,12,13)
InChIKeyGICIZBCGBUDNNW-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.46
Rot. Bonds1

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

5-bromo-2-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 84809918) has the molecular formula C8H5BrN2O2S and a molecular weight of 273.11 g/mol. Its IUPAC name is 5-bromo-2-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID84809918
Molecular FormulaC8H5BrN2O2S
Molecular Weight273.11 g/mol
Exact Mass271.93
IUPAC Name5-bromo-2-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1ncc2c(Br)c(C(=O)O)sc2n1
InChIInChI=1S/C8H5BrN2O2S/c1-3-10-2-4-5(9)6(8(12)13)14-7(4)11-3/h2H,1H3,(H,12,13)
InChIKeyGICIZBCGBUDNNW-UHFFFAOYSA-N
XLogP2.46
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-bromo-2-methylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 84809918) is 5-bromo-2-methylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-bromo-2-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-bromo-2-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1ncc2c(Br)c(C(=O)O)sc2n1.
What is the InChIKey of 5-bromo-2-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is GICIZBCGBUDNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2S/c1-3-10-2-4-5(9)6(8(12)13)14-7(4)11-3/h2H,1H3,(H,12,13).
What are the key properties of 5-bromo-2-methylthieno[2,3-d]pyrimidine-6-carboxylic acid?
5-bromo-2-methylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 273.11 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 84809918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).