[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate

C23H24N4O7 — CID 27764111

About [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate

[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate (PubChem CID 27764111) has the molecular formula C23H24N4O7 and a molecular weight of 468.47 g/mol. Its IUPAC name is [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

• Compound Name: [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
• PubChem CID: 27764111
• Molecular Formula: C23H24N4O7
• Molecular Weight: 468.47 g/mol
• Exact Mass: 468.16
• IUPAC Name: [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
• SMILES: CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(NC(=O)c3ccco3)cc2)c(=O)n(C)c1=O
• InChI: InChI=1S/C23H24N4O7/c1-13(2)11-27-19(24)18(21(30)26(3)23(27)32)16(28)12-34-22(31)14-6-8-15(9-7-14)25-20(29)17-5-4-10-33-17/h4-10,13H,11-12,24H2,1-3H3,(H,25,29)
• InChIKey: MCJBVPPGDOYLSQ-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 155.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.47
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate?

The IUPAC name of [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate (CID 27764111) is [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate.

What is the SMILES notation for [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate?

The canonical SMILES for [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate is CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(NC(=O)c3ccco3)cc2)c(=O)n(C)c1=O.

What is the InChIKey of [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate?

The InChIKey is MCJBVPPGDOYLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O7/c1-13(2)11-27-19(24)18(21(30)26(3)23(27)32)16(28)12-34-22(31)14-6-8-15(9-7-14)25-20(29)17-5-4-10-33-17/h4-10,13H,11-12,24H2,1-3H3,(H,25,29).

What are the key properties of [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate?

[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate has a molecular weight of 468.47 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 27764111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).