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

C21H24N8O2 — CID 122347229

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

6-methyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (PubChem CID 122347229) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 6-methyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-methyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
• PubChem CID: 122347229
• Molecular Formula: C21H24N8O2
• Molecular Weight: 420.48 g/mol
• Exact Mass: 420.20
• IUPAC Name: 6-methyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
• SMILES: Cc1cc(=O)n(CC(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)cn1
• InChI: InChI=1S/C21H24N8O2/c1-15-4-3-5-17(23-15)24-18-6-7-19(26-25-18)27-8-10-28(11-9-27)21(31)13-29-14-22-16(2)12-20(29)30/h3-7,12,14H,8-11,13H2,1-2H3,(H,23,24,25)
• InChIKey: RSAUYFUOVBIYMT-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 109.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.48
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-methyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (CID 122347229) is 6-methyl-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 6-methyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?

The canonical SMILES for 6-methyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is Cc1cc(=O)n(CC(=O)N2CCN(c3ccc(Nc4cccc(C)n4)nn3)CC2)cn1.

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

The InChIKey is RSAUYFUOVBIYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-15-4-3-5-17(23-15)24-18-6-7-19(26-25-18)27-8-10-28(11-9-27)21(31)13-29-14-22-16(2)12-20(29)30/h3-7,12,14H,8-11,13H2,1-2H3,(H,23,24,25).

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

6-methyl-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 420.48 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-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 122347229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).