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

C15H18N4O2S — CID 137284829

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

3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 137284829) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

• Compound Name: 3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-methyl-2-pyridinyl)propanamide
• PubChem CID: 137284829
• Molecular Formula: C15H18N4O2S
• Molecular Weight: 318.40 g/mol
• Exact Mass: 318.12
• IUPAC Name: 3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-methyl-2-pyridinyl)propanamide
• SMILES: CSc1nc(C)c(CCC(=O)Nc2ccc(C)cn2)c(=O)[nH]1
• InChI: InChI=1S/C15H18N4O2S/c1-9-4-6-12(16-8-9)18-13(20)7-5-11-10(2)17-15(22-3)19-14(11)21/h4,6,8H,5,7H2,1-3H3,(H,16,18,20)(H,17,19,21)
• InChIKey: KPZYKMASYRKZIF-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.40
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-methyl-2-pyridinyl)propanamide (CID 137284829) is 3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-methyl-2-pyridinyl)propanamide.

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

The canonical SMILES for 3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-methyl-2-pyridinyl)propanamide is CSc1nc(C)c(CCC(=O)Nc2ccc(C)cn2)c(=O)[nH]1.

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

The InChIKey is KPZYKMASYRKZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-9-4-6-12(16-8-9)18-13(20)7-5-11-10(2)17-15(22-3)19-14(11)21/h4,6,8H,5,7H2,1-3H3,(H,16,18,20)(H,17,19,21).

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

3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 318.40 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 137284829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).