4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile

C₁₅H₁₀FN₃OS — CID 133376876

About 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile

4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile (PubChem CID 133376876) has the molecular formula C₁₅H₁₀FN₃OS and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile.

Molecular Properties

• Compound Name: 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile
• PubChem CID: 133376876
• Molecular Formula: C₁₅H₁₀FN₃OS
• Molecular Weight: 299.33 g/mol
• Exact Mass: 299.05
• IUPAC Name: 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile
• SMILES: CCc1cc2c(Oc3ccc(C#N)cc3F)ncnc2s1
• InChI: InChI=1S/C15H10FN3OS/c1-2-10-6-11-14(18-8-19-15(11)21-10)20-13-4-3-9(7-17)5-12(13)16/h3-6,8H,2H2,1H3
• InChIKey: LZJGZAVJLHFIKI-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 58.80 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.33
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile?

The IUPAC name of 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile (CID 133376876) is 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile.

What is the SMILES notation for 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile?

The canonical SMILES for 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile is CCc1cc2c(Oc3ccc(C#N)cc3F)ncnc2s1.

What is the InChIKey of 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile?

The InChIKey is LZJGZAVJLHFIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3OS/c1-2-10-6-11-14(18-8-19-15(11)21-10)20-13-4-3-9(7-17)5-12(13)16/h3-6,8H,2H2,1H3.

What are the key properties of 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile?

4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile has a molecular weight of 299.33 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxy-3-fluorobenzonitrile is sourced from PubChem (CID 133376876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 133376876 — identifiers, structure, computed properties (public domain)

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