6-[2-(diethylamino)ethyl]-4,7-dimethyl-2-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione

C23H30N6O2 — CID 16615248

About 6-[2-(diethylamino)ethyl]-4,7-dimethyl-2-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione

6-[2-(diethylamino)ethyl]-4,7-dimethyl-2-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione (PubChem CID 16615248) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethyl]-4,7-dimethyl-2-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

• Compound Name: 6-[2-(diethylamino)ethyl]-4,7-dimethyl-2-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione
• PubChem CID: 16615248
• Molecular Formula: C23H30N6O2
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.24
• IUPAC Name: 6-[2-(diethylamino)ethyl]-4,7-dimethyl-2-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione
• SMILES: CCN(CC)CCn1c(C)cn2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc12
• InChI: InChI=1S/C23H30N6O2/c1-5-26(6-2)14-15-27-17(3)16-29-19-20(24-22(27)29)25(4)23(31)28(21(19)30)13-12-18-10-8-7-9-11-18/h7-11,16H,5-6,12-15H2,1-4H3
• InChIKey: NXIVRENFYDOQGU-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 69.47 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[2-(diethylamino)ethyl]-4,7-dimethyl-2-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione (CID 16615248) is 6-[2-(diethylamino)ethyl]-4,7-dimethyl-2-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione.

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

The canonical SMILES for 6-[2-(diethylamino)ethyl]-4,7-dimethyl-2-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione is CCN(CC)CCn1c(C)cn2c3c(=O)n(CCc4ccccc4)c(=O)n(C)c3nc12.

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

The InChIKey is NXIVRENFYDOQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-5-26(6-2)14-15-27-17(3)16-29-19-20(24-22(27)29)25(4)23(31)28(21(19)30)13-12-18-10-8-7-9-11-18/h7-11,16H,5-6,12-15H2,1-4H3.

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

6-[2-(diethylamino)ethyl]-4,7-dimethyl-2-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione has a molecular weight of 422.53 g/mol, XLogP of 2.04, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(diethylamino)ethyl]-4,7-dimethyl-2-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 16615248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).