2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide

C21H23N5O4 — CID 121064463

About 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide

2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide (PubChem CID 121064463) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
• PubChem CID: 121064463
• Molecular Formula: C21H23N5O4
• Molecular Weight: 409.45 g/mol
• Exact Mass: 409.18
• IUPAC Name: 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
• SMILES: CCc1cc(=O)n(CC(=O)NCCn2nc(-c3ccc(OC)cc3)ccc2=O)cn1
• InChI: InChI=1S/C21H23N5O4/c1-3-16-12-21(29)25(14-23-16)13-19(27)22-10-11-26-20(28)9-8-18(24-26)15-4-6-17(30-2)7-5-15/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,22,27)
• InChIKey: ZEQOSZINSMGCDL-UHFFFAOYSA-N
• XLogP: 0.85
• TPSA: 108.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.45
LogP ≤ 5	0.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide?

The IUPAC name of 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide (CID 121064463) is 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide.

What is the SMILES notation for 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide?

The canonical SMILES for 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide is CCc1cc(=O)n(CC(=O)NCCn2nc(-c3ccc(OC)cc3)ccc2=O)cn1.

What is the InChIKey of 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide?

The InChIKey is ZEQOSZINSMGCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-3-16-12-21(29)25(14-23-16)13-19(27)22-10-11-26-20(28)9-8-18(24-26)15-4-6-17(30-2)7-5-15/h4-9,12,14H,3,10-11,13H2,1-2H3,(H,22,27).

What are the key properties of 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide?

2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide has a molecular weight of 409.45 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 121064463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).