N-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide

C15H15BrClN3O2S — CID 137288214

About N-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide

N-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 137288214) has the molecular formula C15H15BrClN3O2S and a molecular weight of 416.73 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

• Compound Name: N-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
• PubChem CID: 137288214
• Molecular Formula: C15H15BrClN3O2S
• Molecular Weight: 416.73 g/mol
• Exact Mass: 414.98
• IUPAC Name: N-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
• SMILES: CSc1nc(C)c(CCC(=O)Nc2ccc(Br)cc2Cl)c(=O)[nH]1
• InChI: InChI=1S/C15H15BrClN3O2S/c1-8-10(14(22)20-15(18-8)23-2)4-6-13(21)19-12-5-3-9(16)7-11(12)17/h3,5,7H,4,6H2,1-2H3,(H,19,21)(H,18,20,22)
• InChIKey: GSUOMCMQYBPHEI-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 74.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.73
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide?

The IUPAC name of N-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 137288214) is N-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide.

What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide?

The canonical SMILES for N-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide is CSc1nc(C)c(CCC(=O)Nc2ccc(Br)cc2Cl)c(=O)[nH]1.

What is the InChIKey of N-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide?

The InChIKey is GSUOMCMQYBPHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O2S/c1-8-10(14(22)20-15(18-8)23-2)4-6-13(21)19-12-5-3-9(16)7-11(12)17/h3,5,7H,4,6H2,1-2H3,(H,19,21)(H,18,20,22).

What are the key properties of N-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide?

N-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 416.73 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromo-2-chlorophenyl)-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 137288214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).