[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate

C24H27N5O6 — CID 16506407

About [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate

[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate (PubChem CID 16506407) has the molecular formula C24H27N5O6 and a molecular weight of 481.51 g/mol. Its IUPAC name is [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate.

Molecular Properties

• Compound Name: [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
• PubChem CID: 16506407
• Molecular Formula: C24H27N5O6
• Molecular Weight: 481.51 g/mol
• Exact Mass: 481.20
• IUPAC Name: [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
• SMILES: CCCn1c(N)c(C(=O)COC(=O)c2cccnc2Nc2ccc(OCC)cc2)c(=O)n(C)c1=O
• InChI: InChI=1S/C24H27N5O6/c1-4-13-29-20(25)19(22(31)28(3)24(29)33)18(30)14-35-23(32)17-7-6-12-26-21(17)27-15-8-10-16(11-9-15)34-5-2/h6-12H,4-5,13-14,25H2,1-3H3,(H,26,27)
• InChIKey: SSAVJUVDKMKTNC-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 147.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.51
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate?

The IUPAC name of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate (CID 16506407) is [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate.

What is the SMILES notation for [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate?

The canonical SMILES for [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate is CCCn1c(N)c(C(=O)COC(=O)c2cccnc2Nc2ccc(OCC)cc2)c(=O)n(C)c1=O.

What is the InChIKey of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate?

The InChIKey is SSAVJUVDKMKTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O6/c1-4-13-29-20(25)19(22(31)28(3)24(29)33)18(30)14-35-23(32)17-7-6-12-26-21(17)27-15-8-10-16(11-9-15)34-5-2/h6-12H,4-5,13-14,25H2,1-3H3,(H,26,27).

What are the key properties of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate?

[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate has a molecular weight of 481.51 g/mol, XLogP of 2.12, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate is sourced from PubChem (CID 16506407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).