4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide

C29H31N5O — CID 3247736

About 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide

4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide (PubChem CID 3247736) has the molecular formula C29H31N5O and a molecular weight of 465.60 g/mol. Its IUPAC name is 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide
• PubChem CID: 3247736
• Molecular Formula: C29H31N5O
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.25
• IUPAC Name: 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide
• SMILES: Cc1nc(-c2ccccc2)nc(N2CCN(C(=O)Nc3cccc4ccccc34)CC2)c1C(C)C
• InChI: InChI=1S/C29H31N5O/c1-20(2)26-21(3)30-27(23-11-5-4-6-12-23)32-28(26)33-16-18-34(19-17-33)29(35)31-25-15-9-13-22-10-7-8-14-24(22)25/h4-15,20H,16-19H2,1-3H3,(H,31,35)
• InChIKey: NFTRALOUQGUTIE-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide (CID 3247736) is 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide.

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

The canonical SMILES for 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide is Cc1nc(-c2ccccc2)nc(N2CCN(C(=O)Nc3cccc4ccccc34)CC2)c1C(C)C.

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

The InChIKey is NFTRALOUQGUTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O/c1-20(2)26-21(3)30-27(23-11-5-4-6-12-23)32-28(26)33-16-18-34(19-17-33)29(35)31-25-15-9-13-22-10-7-8-14-24(22)25/h4-15,20H,16-19H2,1-3H3,(H,31,35).

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

4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide is sourced from PubChem (CID 3247736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).