N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C27H30N6O6 — CID 42906788

About N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 42906788) has the molecular formula C27H30N6O6 and a molecular weight of 534.57 g/mol. Its IUPAC name is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
• PubChem CID: 42906788
• Molecular Formula: C27H30N6O6
• Molecular Weight: 534.57 g/mol
• Exact Mass: 534.22
• IUPAC Name: N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
• SMILES: CCC1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccc2)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1=O
• InChI: InChI=1S/C27H30N6O6/c1-3-27(19-12-8-5-9-13-19)24(36)33(26(38)30-27)17-20(34)32(16-18-10-6-4-7-11-18)21-22(28)31(14-15-39-2)25(37)29-23(21)35/h4-13H,3,14-17,28H2,1-2H3,(H,30,38)(H,29,35,37)
• InChIKey: RBFUYHINZIRMDS-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 159.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.57
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?

The IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 42906788) is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

What is the SMILES notation for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?

The canonical SMILES for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CCC1(c2ccccc2)NC(=O)N(CC(=O)N(Cc2ccccc2)c2c(N)n(CCOC)c(=O)[nH]c2=O)C1=O.

What is the InChIKey of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?

The InChIKey is RBFUYHINZIRMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O6/c1-3-27(19-12-8-5-9-13-19)24(36)33(26(38)30-27)17-20(34)32(16-18-10-6-4-7-11-18)21-22(28)31(14-15-39-2)25(37)29-23(21)35/h4-13H,3,14-17,28H2,1-2H3,(H,30,38)(H,29,35,37).

What are the key properties of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 534.57 g/mol, XLogP of 1.16, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 42906788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).