ethyl 4-(furan-2-yl)-6-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C24H28N2O7 — CID 55399384

About ethyl 4-(furan-2-yl)-6-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 4-(furan-2-yl)-6-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 55399384) has the molecular formula C24H28N2O7 and a molecular weight of 456.50 g/mol. Its IUPAC name is ethyl 4-(furan-2-yl)-6-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-(furan-2-yl)-6-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 55399384
• Molecular Formula: C24H28N2O7
• Molecular Weight: 456.50 g/mol
• Exact Mass: 456.19
• IUPAC Name: ethyl 4-(furan-2-yl)-6-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCOC(=O)C1=C(COC(=O)COc2ccc(C(C)C)c(C)c2)NC(=O)NC1c1ccco1
• InChI: InChI=1S/C24H28N2O7/c1-5-30-23(28)21-18(25-24(29)26-22(21)19-7-6-10-31-19)12-33-20(27)13-32-16-8-9-17(14(2)3)15(4)11-16/h6-11,14,22H,5,12-13H2,1-4H3,(H2,25,26,29)
• InChIKey: SQHDADZOVXKWOI-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 116.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.50
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl 4-(furan-2-yl)-6-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 55399384) is ethyl 4-(furan-2-yl)-6-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

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

The canonical SMILES for ethyl 4-(furan-2-yl)-6-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)COc2ccc(C(C)C)c(C)c2)NC(=O)NC1c1ccco1.

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

The InChIKey is SQHDADZOVXKWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O7/c1-5-30-23(28)21-18(25-24(29)26-22(21)19-7-6-10-31-19)12-33-20(27)13-32-16-8-9-17(14(2)3)15(4)11-16/h6-11,14,22H,5,12-13H2,1-4H3,(H2,25,26,29).

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

ethyl 4-(furan-2-yl)-6-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 456.50 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-(furan-2-yl)-6-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 55399384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).