N-[4-(tert-butylcarbamoyl)phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide

C24H34N6O2 — CID 55698461

About N-[4-(tert-butylcarbamoyl)phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide

N-[4-(tert-butylcarbamoyl)phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 55698461) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is N-[4-(tert-butylcarbamoyl)phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-(tert-butylcarbamoyl)phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
• PubChem CID: 55698461
• Molecular Formula: C24H34N6O2
• Molecular Weight: 438.58 g/mol
• Exact Mass: 438.27
• IUPAC Name: N-[4-(tert-butylcarbamoyl)phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
• SMILES: Cc1cc(N2CCN(C(=O)Nc3ccc(C(=O)NC(C)(C)C)cc3)CC2)nc(C(C)C)n1
• InChI: InChI=1S/C24H34N6O2/c1-16(2)21-25-17(3)15-20(27-21)29-11-13-30(14-12-29)23(32)26-19-9-7-18(8-10-19)22(31)28-24(4,5)6/h7-10,15-16H,11-14H2,1-6H3,(H,26,32)(H,28,31)
• InChIKey: XJJQGYDPZNSXMS-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 90.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.58
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylcarbamoyl)phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide?

The IUPAC name of N-[4-(tert-butylcarbamoyl)phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide (CID 55698461) is N-[4-(tert-butylcarbamoyl)phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide.

What is the SMILES notation for N-[4-(tert-butylcarbamoyl)phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide?

The canonical SMILES for N-[4-(tert-butylcarbamoyl)phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide is Cc1cc(N2CCN(C(=O)Nc3ccc(C(=O)NC(C)(C)C)cc3)CC2)nc(C(C)C)n1.

What is the InChIKey of N-[4-(tert-butylcarbamoyl)phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide?

The InChIKey is XJJQGYDPZNSXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-16(2)21-25-17(3)15-20(27-21)29-11-13-30(14-12-29)23(32)26-19-9-7-18(8-10-19)22(31)28-24(4,5)6/h7-10,15-16H,11-14H2,1-6H3,(H,26,32)(H,28,31).

What are the key properties of N-[4-(tert-butylcarbamoyl)phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide?

N-[4-(tert-butylcarbamoyl)phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 438.58 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(tert-butylcarbamoyl)phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 55698461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).