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

C24H27N3O3 — CID 95185364

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

2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (PubChem CID 95185364) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
• PubChem CID: 95185364
• Molecular Formula: C24H27N3O3
• Molecular Weight: 405.50 g/mol
• Exact Mass: 405.21
• IUPAC Name: 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
• SMILES: Cc1ccc([C@H](C)NC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)cc1
• InChI: InChI=1S/C24H27N3O3/c1-16-9-11-19(12-10-16)17(2)25-22(29)15-27-23(20-7-5-4-6-8-20)26-18(3)21(13-14-28)24(27)30/h4-12,17,28H,13-15H2,1-3H3,(H,25,29)/t17-/m0/s1
• InChIKey: VZYQYKJQOILGRP-KRWDZBQOSA-N
• XLogP: 2.94
• TPSA: 84.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.50
LogP ≤ 5	2.94
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-(4-methylphenyl)ethyl]acetamide?

The IUPAC name of 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide (CID 95185364) is 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide.

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

The canonical SMILES for 2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide is Cc1ccc([C@H](C)NC(=O)Cn2c(-c3ccccc3)nc(C)c(CCO)c2=O)cc1.

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

The InChIKey is VZYQYKJQOILGRP-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16-9-11-19(12-10-16)17(2)25-22(29)15-27-23(20-7-5-4-6-8-20)26-18(3)21(13-14-28)24(27)30/h4-12,17,28H,13-15H2,1-3H3,(H,25,29)/t17-/m0/s1.

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

2-[5-(2-hydroxyethyl)-4-methyl-6-oxo-2-phenylpyrimidin-1-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 2.94, 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-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 95185364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).