2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide

C19H24N8OS — CID 55802738

About 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide

2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide (PubChem CID 55802738) has the molecular formula C19H24N8OS and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
• PubChem CID: 55802738
• Molecular Formula: C19H24N8OS
• Molecular Weight: 412.52 g/mol
• Exact Mass: 412.18
• IUPAC Name: 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
• SMILES: CSc1nc2nc(C)c(CC(=O)NC3CCCN(c4ncccn4)C3)c(C)n2n1
• InChI: InChI=1S/C19H24N8OS/c1-12-15(13(2)27-18(22-12)24-19(25-27)29-3)10-16(28)23-14-6-4-9-26(11-14)17-20-7-5-8-21-17/h5,7-8,14H,4,6,9-11H2,1-3H3,(H,23,28)
• InChIKey: FSYVBVCITJFXQO-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 101.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.52
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide?

The IUPAC name of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide (CID 55802738) is 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide.

What is the SMILES notation for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide?

The canonical SMILES for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide is CSc1nc2nc(C)c(CC(=O)NC3CCCN(c4ncccn4)C3)c(C)n2n1.

What is the InChIKey of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide?

The InChIKey is FSYVBVCITJFXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8OS/c1-12-15(13(2)27-18(22-12)24-19(25-27)29-3)10-16(28)23-14-6-4-9-26(11-14)17-20-7-5-8-21-17/h5,7-8,14H,4,6,9-11H2,1-3H3,(H,23,28).

What are the key properties of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide?

2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide has a molecular weight of 412.52 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide is sourced from PubChem (CID 55802738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).