ethyl 6-[(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

C25H24N4O5 — CID 46667133

About ethyl 6-[(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 6-[(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 46667133) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is ethyl 6-[(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-[(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 46667133
• Molecular Formula: C25H24N4O5
• Molecular Weight: 460.49 g/mol
• Exact Mass: 460.17
• IUPAC Name: ethyl 6-[(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCOC(=O)C1=C(CN2C(=O)NC3(CCc4ccccc43)C2=O)NC(=O)NC1c1ccccc1
• InChI: InChI=1S/C25H24N4O5/c1-2-34-21(30)19-18(26-23(32)27-20(19)16-9-4-3-5-10-16)14-29-22(31)25(28-24(29)33)13-12-15-8-6-7-11-17(15)25/h3-11,20H,2,12-14H2,1H3,(H,28,33)(H2,26,27,32)
• InChIKey: YSHSRNUARSNAIG-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 116.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.49
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of ethyl 6-[(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 46667133) is ethyl 6-[(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for ethyl 6-[(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for ethyl 6-[(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(CN2C(=O)NC3(CCc4ccccc43)C2=O)NC(=O)NC1c1ccccc1.

What is the InChIKey of ethyl 6-[(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is YSHSRNUARSNAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-2-34-21(30)19-18(26-23(32)27-20(19)16-9-4-3-5-10-16)14-29-22(31)25(28-24(29)33)13-12-15-8-6-7-11-17(15)25/h3-11,20H,2,12-14H2,1H3,(H,28,33)(H2,26,27,32).

What are the key properties of ethyl 6-[(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?

ethyl 6-[(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 460.49 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-[(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 46667133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).