6-ethyl-4,7,8-trimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione

C20H23N5O2 — CID 3163148

About 6-ethyl-4,7,8-trimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione

6-ethyl-4,7,8-trimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione (PubChem CID 3163148) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-ethyl-4,7,8-trimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

• Compound Name: 6-ethyl-4,7,8-trimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione
• PubChem CID: 3163148
• Molecular Formula: C20H23N5O2
• Molecular Weight: 365.44 g/mol
• Exact Mass: 365.19
• IUPAC Name: 6-ethyl-4,7,8-trimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione
• SMILES: CCn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4C)c(=O)n(C)c3nc12
• InChI: InChI=1S/C20H23N5O2/c1-6-23-13(3)14(4)25-16-17(21-19(23)25)22(5)20(27)24(18(16)26)11-15-10-8-7-9-12(15)2/h7-10H,6,11H2,1-5H3
• InChIKey: BVWGVAGIGJVEHB-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 66.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.44
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-ethyl-4,7,8-trimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione (CID 3163148) is 6-ethyl-4,7,8-trimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione.

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

The canonical SMILES for 6-ethyl-4,7,8-trimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione is CCn1c(C)c(C)n2c3c(=O)n(Cc4ccccc4C)c(=O)n(C)c3nc12.

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

The InChIKey is BVWGVAGIGJVEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-6-23-13(3)14(4)25-16-17(21-19(23)25)22(5)20(27)24(18(16)26)11-15-10-8-7-9-12(15)2/h7-10H,6,11H2,1-5H3.

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

6-ethyl-4,7,8-trimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione has a molecular weight of 365.44 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-4,7,8-trimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 3163148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).