2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide

C23H25N3O3 — CID 95185360

About 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide

2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 95185360) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

• Compound Name: 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
• PubChem CID: 95185360
• Molecular Formula: C23H25N3O3
• Molecular Weight: 391.47 g/mol
• Exact Mass: 391.19
• IUPAC Name: 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
• SMILES: Cc1nc(-c2ccccc2)n(CC(=O)N[C@@H](C)c2ccccc2)c(=O)c1CCO
• InChI: InChI=1S/C23H25N3O3/c1-16(18-9-5-3-6-10-18)24-21(28)15-26-22(19-11-7-4-8-12-19)25-17(2)20(13-14-27)23(26)29/h3-12,16,27H,13-15H2,1-2H3,(H,24,28)/t16-/m0/s1
• InChIKey: JFPOTRSOTHTOCW-INIZCTEOSA-N
• XLogP: 2.63
• TPSA: 84.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide?

The IUPAC name of 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide (CID 95185360) is 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide.

What is the SMILES notation for 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide?

The canonical SMILES for 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide is Cc1nc(-c2ccccc2)n(CC(=O)N[C@@H](C)c2ccccc2)c(=O)c1CCO.

What is the InChIKey of 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide?

The InChIKey is JFPOTRSOTHTOCW-INIZCTEOSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16(18-9-5-3-6-10-18)24-21(28)15-26-22(19-11-7-4-8-12-19)25-17(2)20(13-14-27)23(26)29/h3-12,16,27H,13-15H2,1-2H3,(H,24,28)/t16-/m0/s1.

What are the key properties of 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide?

2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 391.47 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 95185360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).