4-[2-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]ethyl]-2,2-dimethylmorpholine

C27H36N8O2 — CID 59605899

About 4-[2-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]ethyl]-2,2-dimethylmorpholine

4-[2-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]ethyl]-2,2-dimethylmorpholine (PubChem CID 59605899) has the molecular formula C27H36N8O2 and a molecular weight of 504.64 g/mol. Its IUPAC name is 4-[2-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]ethyl]-2,2-dimethylmorpholine.

Molecular Properties

• Compound Name: 4-[2-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]ethyl]-2,2-dimethylmorpholine
• PubChem CID: 59605899
• Molecular Formula: C27H36N8O2
• Molecular Weight: 504.64 g/mol
• Exact Mass: 504.30
• IUPAC Name: 4-[2-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]ethyl]-2,2-dimethylmorpholine
• SMILES: CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CCN3CCOC(C)(C)C3)n(C)c2n1
• InChI: InChI=1S/C27H36N8O2/c1-5-21-28-19-8-6-7-9-20(19)35(21)26-30-24-23(25(31-26)34-13-15-36-16-14-34)29-22(32(24)4)10-11-33-12-17-37-27(2,3)18-33/h6-9H,5,10-18H2,1-4H3
• InChIKey: RRSLAKNIZPPACC-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 86.36 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.64
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]ethyl]-2,2-dimethylmorpholine?

The IUPAC name of 4-[2-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]ethyl]-2,2-dimethylmorpholine (CID 59605899) is 4-[2-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]ethyl]-2,2-dimethylmorpholine.

What is the SMILES notation for 4-[2-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]ethyl]-2,2-dimethylmorpholine?

The canonical SMILES for 4-[2-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]ethyl]-2,2-dimethylmorpholine is CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CCN3CCOC(C)(C)C3)n(C)c2n1.

What is the InChIKey of 4-[2-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]ethyl]-2,2-dimethylmorpholine?

The InChIKey is RRSLAKNIZPPACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N8O2/c1-5-21-28-19-8-6-7-9-20(19)35(21)26-30-24-23(25(31-26)34-13-15-36-16-14-34)29-22(32(24)4)10-11-33-12-17-37-27(2,3)18-33/h6-9H,5,10-18H2,1-4H3.

What are the key properties of 4-[2-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]ethyl]-2,2-dimethylmorpholine?

4-[2-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]ethyl]-2,2-dimethylmorpholine has a molecular weight of 504.64 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]ethyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 59605899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).