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

C24H23N3O8 — CID 46608748

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

ethyl 4-(furan-2-yl)-6-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 46608748) has the molecular formula C24H23N3O8 and a molecular weight of 481.46 g/mol. Its IUPAC name is ethyl 4-(furan-2-yl)-6-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-(furan-2-yl)-6-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 46608748
• Molecular Formula: C24H23N3O8
• Molecular Weight: 481.46 g/mol
• Exact Mass: 481.15
• IUPAC Name: ethyl 4-(furan-2-yl)-6-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCOC(=O)C1=C(COC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)NC(=O)NC1c1ccco1
• InChI: InChI=1S/C24H23N3O8/c1-3-33-23(31)19-16(25-24(32)26-20(19)17-5-4-10-34-17)12-35-18(28)8-9-27-21(29)14-7-6-13(2)11-15(14)22(27)30/h4-7,10-11,20H,3,8-9,12H2,1-2H3,(H2,25,26,32)
• InChIKey: VGISVMONKTVHSL-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 144.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.46
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(furan-2-yl)-6-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of ethyl 4-(furan-2-yl)-6-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 46608748) is ethyl 4-(furan-2-yl)-6-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

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

The canonical SMILES for ethyl 4-(furan-2-yl)-6-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)CCN2C(=O)c3ccc(C)cc3C2=O)NC(=O)NC1c1ccco1.

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

The InChIKey is VGISVMONKTVHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O8/c1-3-33-23(31)19-16(25-24(32)26-20(19)17-5-4-10-34-17)12-35-18(28)8-9-27-21(29)14-7-6-13(2)11-15(14)22(27)30/h4-7,10-11,20H,3,8-9,12H2,1-2H3,(H2,25,26,32).

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

ethyl 4-(furan-2-yl)-6-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 481.46 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-(furan-2-yl)-6-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 46608748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).