4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide

C24H37N5O3S — CID 22333950

About 4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide

4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide (PubChem CID 22333950) has the molecular formula C24H37N5O3S and a molecular weight of 475.66 g/mol. Its IUPAC name is 4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide.

Molecular Properties

• Compound Name: 4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide
• PubChem CID: 22333950
• Molecular Formula: C24H37N5O3S
• Molecular Weight: 475.66 g/mol
• Exact Mass: 475.26
• IUPAC Name: 4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide
• SMILES: Cc1sc2ncn(CC(=O)NCCCC(=O)NCCCN3CC(C)CC(C)C3)c(=O)c2c1C
• InChI: InChI=1S/C24H37N5O3S/c1-16-11-17(2)13-28(12-16)10-6-9-25-20(30)7-5-8-26-21(31)14-29-15-27-23-22(24(29)32)18(3)19(4)33-23/h15-17H,5-14H2,1-4H3,(H,25,30)(H,26,31)
• InChIKey: MGPMWKVMKRALBK-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.66
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide?

The IUPAC name of 4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide (CID 22333950) is 4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide.

What is the SMILES notation for 4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide?

The canonical SMILES for 4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide is Cc1sc2ncn(CC(=O)NCCCC(=O)NCCCN3CC(C)CC(C)C3)c(=O)c2c1C.

What is the InChIKey of 4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide?

The InChIKey is MGPMWKVMKRALBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O3S/c1-16-11-17(2)13-28(12-16)10-6-9-25-20(30)7-5-8-26-21(31)14-29-15-27-23-22(24(29)32)18(3)19(4)33-23/h15-17H,5-14H2,1-4H3,(H,25,30)(H,26,31).

What are the key properties of 4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide?

4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide has a molecular weight of 475.66 g/mol, XLogP of 2.46, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]butanamide is sourced from PubChem (CID 22333950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).