6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione

C21H30N6O2 — CID 6463293

About 6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione

6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione (PubChem CID 6463293) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

• Compound Name: 6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione
• PubChem CID: 6463293
• Molecular Formula: C21H30N6O2
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.24
• IUPAC Name: 6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione
• SMILES: Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1C1CCCC1
• InChI: InChI=1S/C21H30N6O2/c1-15-14-26-17-18(22-20(26)27(15)16-8-4-5-9-16)23(2)21(29)25(19(17)28)13-12-24-10-6-3-7-11-24/h14,16H,3-13H2,1-2H3
• InChIKey: FZRFHNKNBGOIDQ-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 69.47 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione?

The IUPAC name of 6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione (CID 6463293) is 6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione.

What is the SMILES notation for 6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione?

The canonical SMILES for 6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione is Cc1cn2c3c(=O)n(CCN4CCCCC4)c(=O)n(C)c3nc2n1C1CCCC1.

What is the InChIKey of 6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione?

The InChIKey is FZRFHNKNBGOIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-15-14-26-17-18(22-20(26)27(15)16-8-4-5-9-16)23(2)21(29)25(19(17)28)13-12-24-10-6-3-7-11-24/h14,16H,3-13H2,1-2H3.

What are the key properties of 6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione?

6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione has a molecular weight of 398.51 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopentyl-4,7-dimethyl-2-(2-piperidin-1-ylethyl)purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 6463293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).