2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide

C20H23Cl4N5O — CID 26376603

About 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide

2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide (PubChem CID 26376603) has the molecular formula C20H23Cl4N5O and a molecular weight of 491.25 g/mol. Its IUPAC name is 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
• PubChem CID: 26376603
• Molecular Formula: C20H23Cl4N5O
• Molecular Weight: 491.25 g/mol
• Exact Mass: 489.07
• IUPAC Name: 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
• SMILES: Cc1cc(N2CCN(CC(=O)Nc3c(Cl)c(Cl)cc(Cl)c3Cl)CC2)nc(C(C)C)n1
• InChI: InChI=1S/C20H23Cl4N5O/c1-11(2)20-25-12(3)8-15(26-20)29-6-4-28(5-7-29)10-16(30)27-19-17(23)13(21)9-14(22)18(19)24/h8-9,11H,4-7,10H2,1-3H3,(H,27,30)
• InChIKey: VMNKFRDRIHVKAJ-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.25
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide?

The IUPAC name of 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide (CID 26376603) is 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide.

What is the SMILES notation for 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide?

The canonical SMILES for 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide is Cc1cc(N2CCN(CC(=O)Nc3c(Cl)c(Cl)cc(Cl)c3Cl)CC2)nc(C(C)C)n1.

What is the InChIKey of 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide?

The InChIKey is VMNKFRDRIHVKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl4N5O/c1-11(2)20-25-12(3)8-15(26-20)29-6-4-28(5-7-29)10-16(30)27-19-17(23)13(21)9-14(22)18(19)24/h8-9,11H,4-7,10H2,1-3H3,(H,27,30).

What are the key properties of 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide?

2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide has a molecular weight of 491.25 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide is sourced from PubChem (CID 26376603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).