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

C21H24N8O2 — CID 122346973

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

6-methyl-3-[2-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (PubChem CID 122346973) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 6-methyl-3-[2-[4-[6-[(4-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-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
• PubChem CID: 122346973
• Molecular Formula: C21H24N8O2
• Molecular Weight: 420.48 g/mol
• Exact Mass: 420.20
• IUPAC Name: 6-methyl-3-[2-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
• SMILES: Cc1ccnc(Nc2ccc(N3CCN(C(=O)Cn4cnc(C)cc4=O)CC3)nn2)c1
• InChI: InChI=1S/C21H24N8O2/c1-15-5-6-22-18(11-15)24-17-3-4-19(26-25-17)27-7-9-28(10-8-27)21(31)13-29-14-23-16(2)12-20(29)30/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,22,24,25)
• InChIKey: DGHLDHQWEIKYEC-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-[(4-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-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (CID 122346973) is 6-methyl-3-[2-[4-[6-[(4-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-[(4-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-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is Cc1ccnc(Nc2ccc(N3CCN(C(=O)Cn4cnc(C)cc4=O)CC3)nn2)c1.

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

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

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

6-methyl-3-[2-[4-[6-[(4-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-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 122346973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).