N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxypropyl)acetamide

C24H29N5O4S — CID 16599433

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxypropyl)acetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxypropyl)acetamide (PubChem CID 16599433) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxypropyl)acetamide.

Molecular Properties

• Compound Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxypropyl)acetamide
• PubChem CID: 16599433
• Molecular Formula: C24H29N5O4S
• Molecular Weight: 483.59 g/mol
• Exact Mass: 483.19
• IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxypropyl)acetamide
• SMILES: COCCCN(C(=O)CN1CCc2sccc2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
• InChI: InChI=1S/C24H29N5O4S/c1-33-12-5-10-28(20(30)16-27-11-8-19-18(15-27)9-13-34-19)21-22(25)29(24(32)26-23(21)31)14-17-6-3-2-4-7-17/h2-4,6-7,9,13H,5,8,10-12,14-16,25H2,1H3,(H,26,31,32)
• InChIKey: BFZNTMAOKAVALP-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 113.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.59
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxypropyl)acetamide?

The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxypropyl)acetamide (CID 16599433) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxypropyl)acetamide.

What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxypropyl)acetamide?

The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxypropyl)acetamide is COCCCN(C(=O)CN1CCc2sccc2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.

What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxypropyl)acetamide?

The InChIKey is BFZNTMAOKAVALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-33-12-5-10-28(20(30)16-27-11-8-19-18(15-27)9-13-34-19)21-22(25)29(24(32)26-23(21)31)14-17-6-3-2-4-7-17/h2-4,6-7,9,13H,5,8,10-12,14-16,25H2,1H3,(H,26,31,32).

What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxypropyl)acetamide?

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxypropyl)acetamide has a molecular weight of 483.59 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 16599433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).