[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate

C23H25N5O7 — CID 27925601

About [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate

[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (PubChem CID 27925601) has the molecular formula C23H25N5O7 and a molecular weight of 483.48 g/mol. Its IUPAC name is [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

• Compound Name: [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
• PubChem CID: 27925601
• Molecular Formula: C23H25N5O7
• Molecular Weight: 483.48 g/mol
• Exact Mass: 483.18
• IUPAC Name: [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
• SMILES: CCCN(C(=O)COC(=O)CNC(=O)c1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
• InChI: InChI=1S/C23H25N5O7/c1-2-10-27(17(29)14-35-18(30)12-25-21(31)16-9-6-11-34-16)19-20(24)28(23(33)26-22(19)32)13-15-7-4-3-5-8-15/h3-9,11H,2,10,12-14,24H2,1H3,(H,25,31)(H,26,32,33)
• InChIKey: HDHRQXTYCZOXSE-UHFFFAOYSA-N
• XLogP: 0.48
• TPSA: 169.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.48
LogP ≤ 5	0.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?

The IUPAC name of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (CID 27925601) is [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.

What is the SMILES notation for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?

The canonical SMILES for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is CCCN(C(=O)COC(=O)CNC(=O)c1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.

What is the InChIKey of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?

The InChIKey is HDHRQXTYCZOXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O7/c1-2-10-27(17(29)14-35-18(30)12-25-21(31)16-9-6-11-34-16)19-20(24)28(23(33)26-22(19)32)13-15-7-4-3-5-8-15/h3-9,11H,2,10,12-14,24H2,1H3,(H,25,31)(H,26,32,33).

What are the key properties of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?

[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 483.48 g/mol, XLogP of 0.48, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 27925601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).