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

C8H5BrN2O2S — CID 82378972

IUPAC4-bromo-5-methylthieno[2,3-d]pyrimidine-2-carboxylic acid
SMILESCc1csc2nc(C(=O)O)nc(Br)c12
InChIInChI=1S/C8H5BrN2O2S/c1-3-2-14-7-4(3)5(9)10-6(11-7)8(12)13/h2H,1H3,(H,12,13)
InChIKeyRRISPAWCCVQXNY-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.46
Rot. Bonds1

About 4-bromo-5-methylthieno[2,3-d]pyrimidine-2-carboxylic acid

4-bromo-5-methylthieno[2,3-d]pyrimidine-2-carboxylic acid (PubChem CID 82378972) has the molecular formula C8H5BrN2O2S and a molecular weight of 273.11 g/mol. Its IUPAC name is 4-bromo-5-methylthieno[2,3-d]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-5-methylthieno[2,3-d]pyrimidine-2-carboxylic acid
PubChem CID82378972
Molecular FormulaC8H5BrN2O2S
Molecular Weight273.11 g/mol
Exact Mass271.93
IUPAC Name4-bromo-5-methylthieno[2,3-d]pyrimidine-2-carboxylic acid
SMILESCc1csc2nc(C(=O)O)nc(Br)c12
InChIInChI=1S/C8H5BrN2O2S/c1-3-2-14-7-4(3)5(9)10-6(11-7)8(12)13/h2H,1H3,(H,12,13)
InChIKeyRRISPAWCCVQXNY-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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Related Compounds

3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxylic acid
CID 82128077
2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
CID 83814254
2-[3,6-dimethyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]propanoic acid
CID 66604542
4-chloro-5-methylthieno[2,3-d]pyrimidin-2-amine
CID 130116103
(2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051751
4-bromo-3-methylthieno[2,3-c]pyridine
CID 170773939
12-acetyl-4-methyl-6-thia-1,8,12-triazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one
CID 92563971
3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
CID 122064785
4,6-dimethyl-1,3,5-triazine-2-carboxylic acid
CID 58078164
2-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanamide
CID 133492838
N-(4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide
CID 23912881
4-[4-[(3-aminophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-2-yl]benzoic acid
CID 23289424

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methylthieno[2,3-d]pyrimidine-2-carboxylic acid?
The IUPAC name of 4-bromo-5-methylthieno[2,3-d]pyrimidine-2-carboxylic acid (CID 82378972) is 4-bromo-5-methylthieno[2,3-d]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-bromo-5-methylthieno[2,3-d]pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-bromo-5-methylthieno[2,3-d]pyrimidine-2-carboxylic acid is Cc1csc2nc(C(=O)O)nc(Br)c12.
What is the InChIKey of 4-bromo-5-methylthieno[2,3-d]pyrimidine-2-carboxylic acid?
The InChIKey is RRISPAWCCVQXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2S/c1-3-2-14-7-4(3)5(9)10-6(11-7)8(12)13/h2H,1H3,(H,12,13).
What are the key properties of 4-bromo-5-methylthieno[2,3-d]pyrimidine-2-carboxylic acid?
4-bromo-5-methylthieno[2,3-d]pyrimidine-2-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 4-bromo-5-methylthieno[2,3-d]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 82378972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).