6-(2,4-dimethylphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione

C21H25N5O2 — CID 7214040

About 6-(2,4-dimethylphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione

6-(2,4-dimethylphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 7214040) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

• Compound Name: 6-(2,4-dimethylphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
• PubChem CID: 7214040
• Molecular Formula: C21H25N5O2
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.20
• IUPAC Name: 6-(2,4-dimethylphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
• SMILES: CCCn1c(=O)c2c(nc3n(-c4ccc(C)cc4C)c(C)c(C)n23)n(C)c1=O
• InChI: InChI=1S/C21H25N5O2/c1-7-10-24-19(27)17-18(23(6)21(24)28)22-20-25(14(4)15(5)26(17)20)16-9-8-12(2)11-13(16)3/h8-9,11H,7,10H2,1-6H3
• InChIKey: GRZJPDPVGQBUPB-UHFFFAOYSA-N
• XLogP: 2.78
• 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	2.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-(2,4-dimethylphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione (CID 7214040) is 6-(2,4-dimethylphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione.

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

The canonical SMILES for 6-(2,4-dimethylphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione is CCCn1c(=O)c2c(nc3n(-c4ccc(C)cc4C)c(C)c(C)n23)n(C)c1=O.

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

The InChIKey is GRZJPDPVGQBUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-7-10-24-19(27)17-18(23(6)21(24)28)22-20-25(14(4)15(5)26(17)20)16-9-8-12(2)11-13(16)3/h8-9,11H,7,10H2,1-6H3.

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

6-(2,4-dimethylphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 379.46 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,4-dimethylphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 7214040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).