(2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide

C23H33N5O — CID 25487651

About (2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide

(2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide (PubChem CID 25487651) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is (2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
• PubChem CID: 25487651
• Molecular Formula: C23H33N5O
• Molecular Weight: 395.55 g/mol
• Exact Mass: 395.27
• IUPAC Name: (2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
• SMILES: Cc1ccc(CNC(=O)[C@@H](C)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1
• InChI: InChI=1S/C23H33N5O/c1-16(2)22-25-18(4)14-21(26-22)28-12-10-27(11-13-28)19(5)23(29)24-15-20-8-6-17(3)7-9-20/h6-9,14,16,19H,10-13,15H2,1-5H3,(H,24,29)/t19-/m1/s1
• InChIKey: OJIALNAEVMAGOA-LJQANCHMSA-N
• XLogP: 3.04
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.55
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?

The IUPAC name of (2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide (CID 25487651) is (2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide.

What is the SMILES notation for (2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?

The canonical SMILES for (2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide is Cc1ccc(CNC(=O)[C@@H](C)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cc1.

What is the InChIKey of (2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?

The InChIKey is OJIALNAEVMAGOA-LJQANCHMSA-N. The full InChI is InChI=1S/C23H33N5O/c1-16(2)22-25-18(4)14-21(26-22)28-12-10-27(11-13-28)19(5)23(29)24-15-20-8-6-17(3)7-9-20/h6-9,14,16,19H,10-13,15H2,1-5H3,(H,24,29)/t19-/m1/s1.

What are the key properties of (2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?

(2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide has a molecular weight of 395.55 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 25487651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).