N-(2,6-dichlorophenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

C15H15Cl2N3O3S — CID 135713711

About N-(2,6-dichlorophenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide

N-(2,6-dichlorophenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 135713711) has the molecular formula C15H15Cl2N3O3S and a molecular weight of 388.28 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2,6-dichlorophenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
• PubChem CID: 135713711
• Molecular Formula: C15H15Cl2N3O3S
• Molecular Weight: 388.28 g/mol
• Exact Mass: 387.02
• IUPAC Name: N-(2,6-dichlorophenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
• SMILES: Cc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)[nH]c(=O)c1CCO
• InChI: InChI=1S/C15H15Cl2N3O3S/c1-8-9(5-6-21)14(23)20-15(18-8)24-7-12(22)19-13-10(16)3-2-4-11(13)17/h2-4,21H,5-7H2,1H3,(H,19,22)(H,18,20,23)
• InChIKey: ZWBBESHPWRIARA-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 95.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.28
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?

The IUPAC name of N-(2,6-dichlorophenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide (CID 135713711) is N-(2,6-dichlorophenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-(2,6-dichlorophenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide is Cc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)[nH]c(=O)c1CCO.

What is the InChIKey of N-(2,6-dichlorophenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?

The InChIKey is ZWBBESHPWRIARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3S/c1-8-9(5-6-21)14(23)20-15(18-8)24-7-12(22)19-13-10(16)3-2-4-11(13)17/h2-4,21H,5-7H2,1H3,(H,19,22)(H,18,20,23).

What are the key properties of N-(2,6-dichlorophenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide?

N-(2,6-dichlorophenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 388.28 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dichlorophenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 135713711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).