2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

C24H26ClN3O6 — CID 51369001

About 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 51369001) has the molecular formula C24H26ClN3O6 and a molecular weight of 487.94 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
• PubChem CID: 51369001
• Molecular Formula: C24H26ClN3O6
• Molecular Weight: 487.94 g/mol
• Exact Mass: 487.15
• IUPAC Name: 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
• SMILES: COc1cc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(CCO)c2=O)cc(OC)c1OC
• InChI: InChI=1S/C24H26ClN3O6/c1-14-18(8-9-29)24(31)28(23(26-14)15-6-5-7-16(25)10-15)13-21(30)27-17-11-19(32-2)22(34-4)20(12-17)33-3/h5-7,10-12,29H,8-9,13H2,1-4H3,(H,27,30)
• InChIKey: WUCOWFHMHVGXEJ-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 111.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.94
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?

The IUPAC name of 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 51369001) is 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.

What is the SMILES notation for 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?

The canonical SMILES for 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(CCO)c2=O)cc(OC)c1OC.

What is the InChIKey of 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?

The InChIKey is WUCOWFHMHVGXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O6/c1-14-18(8-9-29)24(31)28(23(26-14)15-6-5-7-16(25)10-15)13-21(30)27-17-11-19(32-2)22(34-4)20(12-17)33-3/h5-7,10-12,29H,8-9,13H2,1-4H3,(H,27,30).

What are the key properties of 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?

2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 487.94 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 51369001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).