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

C9H7BrN2O2S — CID 84813930

IUPAC5-bromo-2-ethylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCc1ncc2c(Br)c(C(=O)O)sc2n1
InChIInChI=1S/C9H7BrN2O2S/c1-2-5-11-3-4-6(10)7(9(13)14)15-8(4)12-5/h3H,2H2,1H3,(H,13,14)
InChIKeyLQUAOZZCUGUKGQ-UHFFFAOYSA-N
MW287.14 g/mol
LogP2.71
Rot. Bonds2

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

5-bromo-2-ethylthieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 84813930) has the molecular formula C9H7BrN2O2S and a molecular weight of 287.14 g/mol. Its IUPAC name is 5-bromo-2-ethylthieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-ethylthieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID84813930
Molecular FormulaC9H7BrN2O2S
Molecular Weight287.14 g/mol
Exact Mass285.94
IUPAC Name5-bromo-2-ethylthieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCc1ncc2c(Br)c(C(=O)O)sc2n1
InChIInChI=1S/C9H7BrN2O2S/c1-2-5-11-3-4-6(10)7(9(13)14)15-8(4)12-5/h3H,2H2,1H3,(H,13,14)
InChIKeyLQUAOZZCUGUKGQ-UHFFFAOYSA-N
XLogP2.71
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 84809918
2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 82395386
ethyl 3-bromo-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 59279785
3-bromo-5-tert-butyl-1-benzothiophene-2-carboxylic acid
CID 84744417
2-bromo-4-propyl-1,3-thiazole-5-carboxylic acid
CID 13015610
2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid
CID 18708141
2-[(2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 50947008
5-ethyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid
CID 82373195
2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid
CID 83884924
2-butyl-6-ethylthieno[2,3-d]pyrimidine-4-carboxylic acid
CID 165484493
6-ethyl-[1,2]thiazolo[5,4-d]pyrimidine
CID 122696581
3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid
CID 99989482

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-bromo-2-ethylthieno[2,3-d]pyrimidine-6-carboxylic acid (CID 84813930) is 5-bromo-2-ethylthieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-bromo-2-ethylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-bromo-2-ethylthieno[2,3-d]pyrimidine-6-carboxylic acid is CCc1ncc2c(Br)c(C(=O)O)sc2n1.
What is the InChIKey of 5-bromo-2-ethylthieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is LQUAOZZCUGUKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2S/c1-2-5-11-3-4-6(10)7(9(13)14)15-8(4)12-5/h3H,2H2,1H3,(H,13,14).
What are the key properties of 5-bromo-2-ethylthieno[2,3-d]pyrimidine-6-carboxylic acid?
5-bromo-2-ethylthieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 287.14 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethylthieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 84813930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).