ethyl (4R)-6-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C26H28N2O7 — CID 25474592

About ethyl (4R)-6-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl (4R)-6-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 25474592) has the molecular formula C26H28N2O7 and a molecular weight of 480.52 g/mol. Its IUPAC name is ethyl (4R)-6-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl (4R)-6-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 25474592
• Molecular Formula: C26H28N2O7
• Molecular Weight: 480.52 g/mol
• Exact Mass: 480.19
• IUPAC Name: ethyl (4R)-6-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCOC(=O)C1=C(COC(=O)CCC(=O)c2ccc3c(c2)CCC3)NC(=O)N[C@H]1c1ccc(C)o1
• InChI: InChI=1S/C26H28N2O7/c1-3-33-25(31)23-19(27-26(32)28-24(23)21-11-7-15(2)35-21)14-34-22(30)12-10-20(29)18-9-8-16-5-4-6-17(16)13-18/h7-9,11,13,24H,3-6,10,12,14H2,1-2H3,(H2,27,28,32)/t24-/m0/s1
• InChIKey: ALTWODKAEJMJLI-DEOSSOPVSA-N
• XLogP: 3.45
• TPSA: 123.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.52
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-6-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of ethyl (4R)-6-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 25474592) is ethyl (4R)-6-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for ethyl (4R)-6-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for ethyl (4R)-6-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)CCC(=O)c2ccc3c(c2)CCC3)NC(=O)N[C@H]1c1ccc(C)o1.

What is the InChIKey of ethyl (4R)-6-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is ALTWODKAEJMJLI-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H28N2O7/c1-3-33-25(31)23-19(27-26(32)28-24(23)21-11-7-15(2)35-21)14-34-22(30)12-10-20(29)18-9-8-16-5-4-6-17(16)13-18/h7-9,11,13,24H,3-6,10,12,14H2,1-2H3,(H2,27,28,32)/t24-/m0/s1.

What are the key properties of ethyl (4R)-6-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

ethyl (4R)-6-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 480.52 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (4R)-6-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 25474592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).