2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide

C23H27N7O2 — CID 122287923

About 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide

2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 122287923) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
• PubChem CID: 122287923
• Molecular Formula: C23H27N7O2
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.22
• IUPAC Name: 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
• SMILES: Cc1cc(=O)n(CC(=O)Nc2ccc(Nc3nc(C)cc(N4CCCCC4)n3)cc2)cn1
• InChI: InChI=1S/C23H27N7O2/c1-16-13-22(32)30(15-24-16)14-21(31)26-18-6-8-19(9-7-18)27-23-25-17(2)12-20(28-23)29-10-4-3-5-11-29/h6-9,12-13,15H,3-5,10-11,14H2,1-2H3,(H,26,31)(H,25,27,28)
• InChIKey: LRTRMKGWASXDFB-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 105.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide?

The IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide (CID 122287923) is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide.

What is the SMILES notation for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide?

The canonical SMILES for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide is Cc1cc(=O)n(CC(=O)Nc2ccc(Nc3nc(C)cc(N4CCCCC4)n3)cc2)cn1.

What is the InChIKey of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide?

The InChIKey is LRTRMKGWASXDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-16-13-22(32)30(15-24-16)14-21(31)26-18-6-8-19(9-7-18)27-23-25-17(2)12-20(28-23)29-10-4-3-5-11-29/h6-9,12-13,15H,3-5,10-11,14H2,1-2H3,(H,26,31)(H,25,27,28).

What are the key properties of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide?

2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 433.52 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 122287923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).