3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one

C27H26N6O2 — CID 121060067

About 3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one

3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one (PubChem CID 121060067) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one.

Molecular Properties

• Compound Name: 3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one
• PubChem CID: 121060067
• Molecular Formula: C27H26N6O2
• Molecular Weight: 466.55 g/mol
• Exact Mass: 466.21
• IUPAC Name: 3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one
• SMILES: Cc1ccccc1-c1ccc(N2CCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)CC2)nn1
• InChI: InChI=1S/C27H26N6O2/c1-20-7-5-6-10-22(20)23-11-12-25(30-29-23)31-13-15-32(16-14-31)27(35)18-33-19-28-24(17-26(33)34)21-8-3-2-4-9-21/h2-12,17,19H,13-16,18H2,1H3
• InChIKey: UGSNUXKVLBHAPB-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 84.22 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.55
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one?

The IUPAC name of 3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one (CID 121060067) is 3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one.

What is the SMILES notation for 3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one?

The canonical SMILES for 3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one is Cc1ccccc1-c1ccc(N2CCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)CC2)nn1.

What is the InChIKey of 3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one?

The InChIKey is UGSNUXKVLBHAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-20-7-5-6-10-22(20)23-11-12-25(30-29-23)31-13-15-32(16-14-31)27(35)18-33-19-28-24(17-26(33)34)21-8-3-2-4-9-21/h2-12,17,19H,13-16,18H2,1H3.

What are the key properties of 3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one?

3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one has a molecular weight of 466.55 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one is sourced from PubChem (CID 121060067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).