N-(2,6-dimethylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide

C27H33N5O — CID 3556625

About N-(2,6-dimethylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide

N-(2,6-dimethylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 3556625) has the molecular formula C27H33N5O and a molecular weight of 443.60 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2,6-dimethylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
• PubChem CID: 3556625
• Molecular Formula: C27H33N5O
• Molecular Weight: 443.60 g/mol
• Exact Mass: 443.27
• IUPAC Name: N-(2,6-dimethylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
• SMILES: Cc1cccc(C)c1NC(=O)N1CCN(c2nc(-c3ccccc3)nc(C)c2C(C)C)CC1
• InChI: InChI=1S/C27H33N5O/c1-18(2)23-21(5)28-25(22-12-7-6-8-13-22)30-26(23)31-14-16-32(17-15-31)27(33)29-24-19(3)10-9-11-20(24)4/h6-13,18H,14-17H2,1-5H3,(H,29,33)
• InChIKey: UGDAHUWLULMYJW-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.60
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide?

The IUPAC name of N-(2,6-dimethylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide (CID 3556625) is N-(2,6-dimethylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide.

What is the SMILES notation for N-(2,6-dimethylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide?

The canonical SMILES for N-(2,6-dimethylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide is Cc1cccc(C)c1NC(=O)N1CCN(c2nc(-c3ccccc3)nc(C)c2C(C)C)CC1.

What is the InChIKey of N-(2,6-dimethylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide?

The InChIKey is UGDAHUWLULMYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O/c1-18(2)23-21(5)28-25(22-12-7-6-8-13-22)30-26(23)31-14-16-32(17-15-31)27(33)29-24-19(3)10-9-11-20(24)4/h6-13,18H,14-17H2,1-5H3,(H,29,33).

What are the key properties of N-(2,6-dimethylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide?

N-(2,6-dimethylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 443.60 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dimethylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 3556625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).