5,6-dimethyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one

C22H26N8O2 — CID 122347190

About 5,6-dimethyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one

5,6-dimethyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (PubChem CID 122347190) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 5,6-dimethyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

• Compound Name: 5,6-dimethyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
• PubChem CID: 122347190
• Molecular Formula: C22H26N8O2
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.22
• IUPAC Name: 5,6-dimethyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
• SMILES: Cc1cccc(Nc2ccc(N3CCN(C(=O)Cn4cnc(C)c(C)c4=O)CC3)nn2)n1
• InChI: InChI=1S/C22H26N8O2/c1-15-5-4-6-18(24-15)25-19-7-8-20(27-26-19)28-9-11-29(12-10-28)21(31)13-30-14-23-17(3)16(2)22(30)32/h4-8,14H,9-13H2,1-3H3,(H,24,25,26)
• InChIKey: JYSPIKLAIAFRIW-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 109.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?

The IUPAC name of 5,6-dimethyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (CID 122347190) is 5,6-dimethyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.

What is the SMILES notation for 5,6-dimethyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?

The canonical SMILES for 5,6-dimethyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is Cc1cccc(Nc2ccc(N3CCN(C(=O)Cn4cnc(C)c(C)c4=O)CC3)nn2)n1.

What is the InChIKey of 5,6-dimethyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?

The InChIKey is JYSPIKLAIAFRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O2/c1-15-5-4-6-18(24-15)25-19-7-8-20(27-26-19)28-9-11-29(12-10-28)21(31)13-30-14-23-17(3)16(2)22(30)32/h4-8,14H,9-13H2,1-3H3,(H,24,25,26).

What are the key properties of 5,6-dimethyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?

5,6-dimethyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one has a molecular weight of 434.50 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dimethyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 122347190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).