2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide

C23H30N6O3S — CID 31482885

About 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide

2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 31482885) has the molecular formula C23H30N6O3S and a molecular weight of 470.60 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

• Compound Name: 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
• PubChem CID: 31482885
• Molecular Formula: C23H30N6O3S
• Molecular Weight: 470.60 g/mol
• Exact Mass: 470.21
• IUPAC Name: 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
• SMILES: COc1ccc([C@@H](CNC(=O)Cc2c(C)nc3nc(SC)nn3c2C)N2CCOCC2)cc1
• InChI: InChI=1S/C23H30N6O3S/c1-15-19(16(2)29-22(25-15)26-23(27-29)33-4)13-21(30)24-14-20(28-9-11-32-12-10-28)17-5-7-18(31-3)8-6-17/h5-8,20H,9-14H2,1-4H3,(H,24,30)/t20-/m1/s1
• InChIKey: FLTPRCVROVEYRA-HXUWFJFHSA-N
• XLogP: 2.20
• TPSA: 93.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.60
LogP ≤ 5	2.20
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-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?

The IUPAC name of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide (CID 31482885) is 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide.

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

The canonical SMILES for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide is COc1ccc([C@@H](CNC(=O)Cc2c(C)nc3nc(SC)nn3c2C)N2CCOCC2)cc1.

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

The InChIKey is FLTPRCVROVEYRA-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30N6O3S/c1-15-19(16(2)29-22(25-15)26-23(27-29)33-4)13-21(30)24-14-20(28-9-11-32-12-10-28)17-5-7-18(31-3)8-6-17/h5-8,20H,9-14H2,1-4H3,(H,24,30)/t20-/m1/s1.

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

2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 470.60 g/mol, XLogP of 2.20, 8 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-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 31482885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).