N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-methoxypropyl)acetamide

C25H34N4O6 — CID 42944155

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-methoxypropyl)acetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-methoxypropyl)acetamide (PubChem CID 42944155) has the molecular formula C25H34N4O6 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-methoxypropyl)acetamide.

Molecular Properties

• Compound Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-methoxypropyl)acetamide
• PubChem CID: 42944155
• Molecular Formula: C25H34N4O6
• Molecular Weight: 486.57 g/mol
• Exact Mass: 486.25
• IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-methoxypropyl)acetamide
• SMILES: COCCCN(C(=O)COc1ccc(C)c2c1C(=O)CC2C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
• InChI: InChI=1S/C25H34N4O6/c1-14(2)12-29-23(26)22(24(32)27-25(29)33)28(9-6-10-34-5)19(31)13-35-18-8-7-15(3)20-16(4)11-17(30)21(18)20/h7-8,14,16H,6,9-13,26H2,1-5H3,(H,27,32,33)
• InChIKey: WUGIIGRUNFFLSO-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 136.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.57
LogP ≤ 5	2.22
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-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-methoxypropyl)acetamide?

The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-methoxypropyl)acetamide (CID 42944155) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-methoxypropyl)acetamide.

What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-methoxypropyl)acetamide?

The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-methoxypropyl)acetamide is COCCCN(C(=O)COc1ccc(C)c2c1C(=O)CC2C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.

What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-methoxypropyl)acetamide?

The InChIKey is WUGIIGRUNFFLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O6/c1-14(2)12-29-23(26)22(24(32)27-25(29)33)28(9-6-10-34-5)19(31)13-35-18-8-7-15(3)20-16(4)11-17(30)21(18)20/h7-8,14,16H,6,9-13,26H2,1-5H3,(H,27,32,33).

What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-methoxypropyl)acetamide?

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-methoxypropyl)acetamide has a molecular weight of 486.57 g/mol, XLogP of 2.22, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 42944155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).