N-(2-hydroxyethyl)-N-methyl-2-[3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-5-yl]acetamide

C24H28F3N3O4S — CID 10164546

About N-(2-hydroxyethyl)-N-methyl-2-[3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-5-yl]acetamide

N-(2-hydroxyethyl)-N-methyl-2-[3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-5-yl]acetamide (PubChem CID 10164546) has the molecular formula C24H28F3N3O4S and a molecular weight of 511.57 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-2-[3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-N-methyl-2-[3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-5-yl]acetamide
• PubChem CID: 10164546
• Molecular Formula: C24H28F3N3O4S
• Molecular Weight: 511.57 g/mol
• Exact Mass: 511.18
• IUPAC Name: N-(2-hydroxyethyl)-N-methyl-2-[3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-5-yl]acetamide
• SMILES: CC(C)Cn1c(=O)n(C)c(=O)c2c(CC(=O)N(C)CCO)c(Cc3ccccc3C(F)(F)F)sc21
• InChI: InChI=1S/C24H28F3N3O4S/c1-14(2)13-30-22-20(21(33)29(4)23(30)34)16(12-19(32)28(3)9-10-31)18(35-22)11-15-7-5-6-8-17(15)24(25,26)27/h5-8,14,31H,9-13H2,1-4H3
• InChIKey: FUASKYJGAPFOHO-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 84.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.57
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-[3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-5-yl]acetamide?

The IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-[3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-5-yl]acetamide (CID 10164546) is N-(2-hydroxyethyl)-N-methyl-2-[3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-5-yl]acetamide.

What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-2-[3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-5-yl]acetamide?

The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-2-[3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-5-yl]acetamide is CC(C)Cn1c(=O)n(C)c(=O)c2c(CC(=O)N(C)CCO)c(Cc3ccccc3C(F)(F)F)sc21.

What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-2-[3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-5-yl]acetamide?

The InChIKey is FUASKYJGAPFOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O4S/c1-14(2)13-30-22-20(21(33)29(4)23(30)34)16(12-19(32)28(3)9-10-31)18(35-22)11-15-7-5-6-8-17(15)24(25,26)27/h5-8,14,31H,9-13H2,1-4H3.

What are the key properties of N-(2-hydroxyethyl)-N-methyl-2-[3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-5-yl]acetamide?

N-(2-hydroxyethyl)-N-methyl-2-[3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-5-yl]acetamide has a molecular weight of 511.57 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-N-methyl-2-[3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 10164546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).