1-[[6-amino-3-(2,6-dioxopiperidin-3-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]methyl]-3-(5-amino-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl)piperidine-2,6-dione

C24H22N8O6S2 — CID 146206022

About 1-[[6-amino-3-(2,6-dioxopiperidin-3-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]methyl]-3-(5-amino-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl)piperidine-2,6-dione

1-[[6-amino-3-(2,6-dioxopiperidin-3-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]methyl]-3-(5-amino-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl)piperidine-2,6-dione (PubChem CID 146206022) has the molecular formula C24H22N8O6S2 and a molecular weight of 582.62 g/mol. Its IUPAC name is 1-[[6-amino-3-(2,6-dioxopiperidin-3-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]methyl]-3-(5-amino-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl)piperidine-2,6-dione.

Molecular Properties

• Compound Name: 1-[[6-amino-3-(2,6-dioxopiperidin-3-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]methyl]-3-(5-amino-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl)piperidine-2,6-dione
• PubChem CID: 146206022
• Molecular Formula: C24H22N8O6S2
• Molecular Weight: 582.62 g/mol
• Exact Mass: 582.11
• IUPAC Name: 1-[[6-amino-3-(2,6-dioxopiperidin-3-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]methyl]-3-(5-amino-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl)piperidine-2,6-dione
• SMILES: Cc1nc2csc(N)c2c(=O)n1C1CCC(=O)N(Cc2nc3cc(N)sc3c(=O)n2C2CCC(=O)NC2=O)C1=O
• InChI: InChI=1S/C24H22N8O6S2/c1-9-27-11-8-39-20(26)18(11)23(37)31(9)13-3-5-17(34)30(22(13)36)7-15-28-10-6-14(25)40-19(10)24(38)32(15)12-2-4-16(33)29-21(12)35/h6,8,12-13H,2-5,7,25-26H2,1H3,(H,29,33,35)
• InChIKey: HHMULFWGOONDGU-UHFFFAOYSA-N
• XLogP: 0.57
• TPSA: 205.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.62
LogP ≤ 5	0.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[6-amino-3-(2,6-dioxopiperidin-3-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]methyl]-3-(5-amino-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl)piperidine-2,6-dione?

The IUPAC name of 1-[[6-amino-3-(2,6-dioxopiperidin-3-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]methyl]-3-(5-amino-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl)piperidine-2,6-dione (CID 146206022) is 1-[[6-amino-3-(2,6-dioxopiperidin-3-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]methyl]-3-(5-amino-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl)piperidine-2,6-dione.

What is the SMILES notation for 1-[[6-amino-3-(2,6-dioxopiperidin-3-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]methyl]-3-(5-amino-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl)piperidine-2,6-dione?

The canonical SMILES for 1-[[6-amino-3-(2,6-dioxopiperidin-3-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]methyl]-3-(5-amino-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl)piperidine-2,6-dione is Cc1nc2csc(N)c2c(=O)n1C1CCC(=O)N(Cc2nc3cc(N)sc3c(=O)n2C2CCC(=O)NC2=O)C1=O.

What is the InChIKey of 1-[[6-amino-3-(2,6-dioxopiperidin-3-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]methyl]-3-(5-amino-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl)piperidine-2,6-dione?

The InChIKey is HHMULFWGOONDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O6S2/c1-9-27-11-8-39-20(26)18(11)23(37)31(9)13-3-5-17(34)30(22(13)36)7-15-28-10-6-14(25)40-19(10)24(38)32(15)12-2-4-16(33)29-21(12)35/h6,8,12-13H,2-5,7,25-26H2,1H3,(H,29,33,35).

What are the key properties of 1-[[6-amino-3-(2,6-dioxopiperidin-3-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]methyl]-3-(5-amino-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl)piperidine-2,6-dione?

1-[[6-amino-3-(2,6-dioxopiperidin-3-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]methyl]-3-(5-amino-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl)piperidine-2,6-dione has a molecular weight of 582.62 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[6-amino-3-(2,6-dioxopiperidin-3-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]methyl]-3-(5-amino-2-methyl-4-oxothieno[3,4-d]pyrimidin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 146206022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).