[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

C17H17ClFN3O5 — CID 7718328

About [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 7718328) has the molecular formula C17H17ClFN3O5 and a molecular weight of 397.79 g/mol. Its IUPAC name is [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

• Compound Name: [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
• PubChem CID: 7718328
• Molecular Formula: C17H17ClFN3O5
• Molecular Weight: 397.79 g/mol
• Exact Mass: 397.08
• IUPAC Name: [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
• SMILES: CCCn1c(N)c(C(=O)COC(=O)Cc2c(F)cccc2Cl)c(=O)[nH]c1=O
• InChI: InChI=1S/C17H17ClFN3O5/c1-2-6-22-15(20)14(16(25)21-17(22)26)12(23)8-27-13(24)7-9-10(18)4-3-5-11(9)19/h3-5H,2,6-8,20H2,1H3,(H,21,25,26)
• InChIKey: YELMJVFJADIHAK-UHFFFAOYSA-N
• XLogP: 1.29
• TPSA: 124.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.79
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?

The IUPAC name of [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 7718328) is [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.

What is the SMILES notation for [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?

The canonical SMILES for [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is CCCn1c(N)c(C(=O)COC(=O)Cc2c(F)cccc2Cl)c(=O)[nH]c1=O.

What is the InChIKey of [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?

The InChIKey is YELMJVFJADIHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O5/c1-2-6-22-15(20)14(16(25)21-17(22)26)12(23)8-27-13(24)7-9-10(18)4-3-5-11(9)19/h3-5H,2,6-8,20H2,1H3,(H,21,25,26).

What are the key properties of [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?

[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 397.79 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 7718328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).