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

C21H25N5O2 — CID 16623711

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

4,7,8-trimethyl-6-(4-methylphenyl)-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione (PubChem CID 16623711) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4,7,8-trimethyl-6-(4-methylphenyl)-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

• Compound Name: 4,7,8-trimethyl-6-(4-methylphenyl)-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
• PubChem CID: 16623711
• Molecular Formula: C21H25N5O2
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.20
• IUPAC Name: 4,7,8-trimethyl-6-(4-methylphenyl)-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
• SMILES: Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(CC(C)C)c(=O)n(C)c4nc23)cc1
• InChI: InChI=1S/C21H25N5O2/c1-12(2)11-24-19(27)17-18(23(6)21(24)28)22-20-25(14(4)15(5)26(17)20)16-9-7-13(3)8-10-16/h7-10,12H,11H2,1-6H3
• InChIKey: PEQNLDFGBVVAJK-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 66.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4,7,8-trimethyl-6-(4-methylphenyl)-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione (CID 16623711) is 4,7,8-trimethyl-6-(4-methylphenyl)-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione.

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

The canonical SMILES for 4,7,8-trimethyl-6-(4-methylphenyl)-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione is Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(CC(C)C)c(=O)n(C)c4nc23)cc1.

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

The InChIKey is PEQNLDFGBVVAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-12(2)11-24-19(27)17-18(23(6)21(24)28)22-20-25(14(4)15(5)26(17)20)16-9-7-13(3)8-10-16/h7-10,12H,11H2,1-6H3.

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

4,7,8-trimethyl-6-(4-methylphenyl)-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione has a molecular weight of 379.46 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7,8-trimethyl-6-(4-methylphenyl)-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 16623711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).