3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one

C20H18N4O2S2 — CID 55504965

About 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one

3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one (PubChem CID 55504965) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
• PubChem CID: 55504965
• Molecular Formula: C20H18N4O2S2
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.09
• IUPAC Name: 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
• SMILES: CC(C)/N=c1\ccccn1C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O
• InChI: InChI=1S/C20H18N4O2S2/c1-13(2)22-16-7-3-4-8-24(16)17(25)10-23-12-21-19-18(20(23)26)14(11-28-19)15-6-5-9-27-15/h3-9,11-13H,10H2,1-2H3/b22-16+
• InChIKey: RPTALQKDSCAUMU-CJLVFECKSA-N
• XLogP: 3.64
• TPSA: 69.25 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?

The IUPAC name of 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one (CID 55504965) is 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?

The canonical SMILES for 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one is CC(C)/N=c1\ccccn1C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O.

What is the InChIKey of 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?

The InChIKey is RPTALQKDSCAUMU-CJLVFECKSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-13(2)22-16-7-3-4-8-24(16)17(25)10-23-12-21-19-18(20(23)26)14(11-28-19)15-6-5-9-27-15/h3-9,11-13H,10H2,1-2H3/b22-16+.

What are the key properties of 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?

3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 410.52 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 55504965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).