1-[4-[6-methyl-5-[(2-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol

C32H36N4O — CID 46029519

About 1-[4-[6-methyl-5-[(2-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol

1-[4-[6-methyl-5-[(2-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol (PubChem CID 46029519) has the molecular formula C32H36N4O and a molecular weight of 492.67 g/mol. Its IUPAC name is 1-[4-[6-methyl-5-[(2-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[4-[6-methyl-5-[(2-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol
• PubChem CID: 46029519
• Molecular Formula: C32H36N4O
• Molecular Weight: 492.67 g/mol
• Exact Mass: 492.29
• IUPAC Name: 1-[4-[6-methyl-5-[(2-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol
• SMILES: Cc1ccccc1Cc1c(C)nc(-c2ccccc2)nc1N1CCN(CC(O)Cc2ccccc2)CC1
• InChI: InChI=1S/C32H36N4O/c1-24-11-9-10-16-28(24)22-30-25(2)33-31(27-14-7-4-8-15-27)34-32(30)36-19-17-35(18-20-36)23-29(37)21-26-12-5-3-6-13-26/h3-16,29,37H,17-23H2,1-2H3
• InChIKey: ACHPRESSJRCCLM-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 52.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.67
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-methyl-5-[(2-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol?

The IUPAC name of 1-[4-[6-methyl-5-[(2-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol (CID 46029519) is 1-[4-[6-methyl-5-[(2-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol.

What is the SMILES notation for 1-[4-[6-methyl-5-[(2-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol?

The canonical SMILES for 1-[4-[6-methyl-5-[(2-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol is Cc1ccccc1Cc1c(C)nc(-c2ccccc2)nc1N1CCN(CC(O)Cc2ccccc2)CC1.

What is the InChIKey of 1-[4-[6-methyl-5-[(2-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol?

The InChIKey is ACHPRESSJRCCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O/c1-24-11-9-10-16-28(24)22-30-25(2)33-31(27-14-7-4-8-15-27)34-32(30)36-19-17-35(18-20-36)23-29(37)21-26-12-5-3-6-13-26/h3-16,29,37H,17-23H2,1-2H3.

What are the key properties of 1-[4-[6-methyl-5-[(2-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol?

1-[4-[6-methyl-5-[(2-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol has a molecular weight of 492.67 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-methyl-5-[(2-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol is sourced from PubChem (CID 46029519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).