2-butyl-6-ethylthieno[2,3-d]pyrimidine-4-carboxylic acid

C13H16N2O2S — CID 165484493

IUPAC2-butyl-6-ethylthieno[2,3-d]pyrimidine-4-carboxylic acid
SMILESCCCCc1nc(C(=O)O)c2cc(CC)sc2n1
InChIInChI=1S/C13H16N2O2S/c1-3-5-6-10-14-11(13(16)17)9-7-8(4-2)18-12(9)15-10/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyVWJSNDWZWFLKQW-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.29
Rot. Bonds5

About 2-butyl-6-ethylthieno[2,3-d]pyrimidine-4-carboxylic acid

2-butyl-6-ethylthieno[2,3-d]pyrimidine-4-carboxylic acid (PubChem CID 165484493) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-butyl-6-ethylthieno[2,3-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-butyl-6-ethylthieno[2,3-d]pyrimidine-4-carboxylic acid
PubChem CID165484493
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-butyl-6-ethylthieno[2,3-d]pyrimidine-4-carboxylic acid
SMILESCCCCc1nc(C(=O)O)c2cc(CC)sc2n1
InChIInChI=1S/C13H16N2O2S/c1-3-5-6-10-14-11(13(16)17)9-7-8(4-2)18-12(9)15-10/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyVWJSNDWZWFLKQW-UHFFFAOYSA-N
XLogP3.29
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-ethylthieno[2,3-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-butyl-6-ethylthieno[2,3-d]pyrimidine-4-carboxylic acid (CID 165484493) is 2-butyl-6-ethylthieno[2,3-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-butyl-6-ethylthieno[2,3-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-butyl-6-ethylthieno[2,3-d]pyrimidine-4-carboxylic acid is CCCCc1nc(C(=O)O)c2cc(CC)sc2n1.
What is the InChIKey of 2-butyl-6-ethylthieno[2,3-d]pyrimidine-4-carboxylic acid?
The InChIKey is VWJSNDWZWFLKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-3-5-6-10-14-11(13(16)17)9-7-8(4-2)18-12(9)15-10/h7H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-butyl-6-ethylthieno[2,3-d]pyrimidine-4-carboxylic acid?
2-butyl-6-ethylthieno[2,3-d]pyrimidine-4-carboxylic acid has a molecular weight of 264.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-ethylthieno[2,3-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 165484493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).