4,7,8-trimethyl-6-[2-(3-methylpiperidin-1-yl)ethyl]-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione

C18H28N6O2 — CID 73284272

About 4,7,8-trimethyl-6-[2-(3-methylpiperidin-1-yl)ethyl]-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione

4,7,8-trimethyl-6-[2-(3-methylpiperidin-1-yl)ethyl]-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione (PubChem CID 73284272) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4,7,8-trimethyl-6-[2-(3-methylpiperidin-1-yl)ethyl]-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

• Compound Name: 4,7,8-trimethyl-6-[2-(3-methylpiperidin-1-yl)ethyl]-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
• PubChem CID: 73284272
• Molecular Formula: C18H28N6O2
• Molecular Weight: 360.46 g/mol
• Exact Mass: 360.23
• IUPAC Name: 4,7,8-trimethyl-6-[2-(3-methylpiperidin-1-yl)ethyl]-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione
• SMILES: CC1=C(C)N2C(=NC3C2C(=O)NC(=O)N3C)N1CCN1CCCC(C)C1
• InChI: InChI=1S/C18H28N6O2/c1-11-6-5-7-22(10-11)8-9-23-12(2)13(3)24-14-15(19-17(23)24)21(4)18(26)20-16(14)25/h11,14-15H,5-10H2,1-4H3,(H,20,25,26)
• InChIKey: XHGKGEBCFCRMNS-UHFFFAOYSA-N
• XLogP: 0.83
• TPSA: 71.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.46
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4,7,8-trimethyl-6-[2-(3-methylpiperidin-1-yl)ethyl]-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?

The IUPAC name of 4,7,8-trimethyl-6-[2-(3-methylpiperidin-1-yl)ethyl]-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione (CID 73284272) is 4,7,8-trimethyl-6-[2-(3-methylpiperidin-1-yl)ethyl]-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione.

What is the SMILES notation for 4,7,8-trimethyl-6-[2-(3-methylpiperidin-1-yl)ethyl]-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?

The canonical SMILES for 4,7,8-trimethyl-6-[2-(3-methylpiperidin-1-yl)ethyl]-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione is CC1=C(C)N2C(=NC3C2C(=O)NC(=O)N3C)N1CCN1CCCC(C)C1.

What is the InChIKey of 4,7,8-trimethyl-6-[2-(3-methylpiperidin-1-yl)ethyl]-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?

The InChIKey is XHGKGEBCFCRMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-11-6-5-7-22(10-11)8-9-23-12(2)13(3)24-14-15(19-17(23)24)21(4)18(26)20-16(14)25/h11,14-15H,5-10H2,1-4H3,(H,20,25,26).

What are the key properties of 4,7,8-trimethyl-6-[2-(3-methylpiperidin-1-yl)ethyl]-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione?

4,7,8-trimethyl-6-[2-(3-methylpiperidin-1-yl)ethyl]-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione has a molecular weight of 360.46 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7,8-trimethyl-6-[2-(3-methylpiperidin-1-yl)ethyl]-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 73284272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).