6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one

C22H26N6O2 — CID 3292486

About 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one

6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one (PubChem CID 3292486) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

• Compound Name: 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
• PubChem CID: 3292486
• Molecular Formula: C22H26N6O2
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.21
• IUPAC Name: 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
• SMILES: Cc1cccc(N2N=C(C(=O)N3CCN(c4nc(C)cc(C)n4)CC3)CCC2=O)c1
• InChI: InChI=1S/C22H26N6O2/c1-15-5-4-6-18(13-15)28-20(29)8-7-19(25-28)21(30)26-9-11-27(12-10-26)22-23-16(2)14-17(3)24-22/h4-6,13-14H,7-12H2,1-3H3
• InChIKey: CEGOWINDWZRWPO-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 82.00 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one?

The IUPAC name of 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one (CID 3292486) is 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one.

What is the SMILES notation for 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one?

The canonical SMILES for 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one is Cc1cccc(N2N=C(C(=O)N3CCN(c4nc(C)cc(C)n4)CC3)CCC2=O)c1.

What is the InChIKey of 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one?

The InChIKey is CEGOWINDWZRWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-15-5-4-6-18(13-15)28-20(29)8-7-19(25-28)21(30)26-9-11-27(12-10-26)22-23-16(2)14-17(3)24-22/h4-6,13-14H,7-12H2,1-3H3.

What are the key properties of 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one?

6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one has a molecular weight of 406.49 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 3292486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).