ethyl 6-[[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C18H19ClN4O5 — CID 43058435

About ethyl 6-[[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 6-[[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 43058435) has the molecular formula C18H19ClN4O5 and a molecular weight of 406.83 g/mol. Its IUPAC name is ethyl 6-[[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-[[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 43058435
• Molecular Formula: C18H19ClN4O5
• Molecular Weight: 406.83 g/mol
• Exact Mass: 406.10
• IUPAC Name: ethyl 6-[[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCOC(=O)C1=C(CN2C(=O)C(C)N(c3ccc(Cl)cc3)C2=O)NC(=O)NC1
• InChI: InChI=1S/C18H19ClN4O5/c1-3-28-16(25)13-8-20-17(26)21-14(13)9-22-15(24)10(2)23(18(22)27)12-6-4-11(19)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H2,20,21,26)
• InChIKey: ZEUSKCRIWUNXBF-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.83
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
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-[[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of ethyl 6-[[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 43058435) is ethyl 6-[[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for ethyl 6-[[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for ethyl 6-[[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(CN2C(=O)C(C)N(c3ccc(Cl)cc3)C2=O)NC(=O)NC1.

What is the InChIKey of ethyl 6-[[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is ZEUSKCRIWUNXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O5/c1-3-28-16(25)13-8-20-17(26)21-14(13)9-22-15(24)10(2)23(18(22)27)12-6-4-11(19)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H2,20,21,26).

What are the key properties of ethyl 6-[[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

ethyl 6-[[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 406.83 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-[[3-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 43058435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).