2-[(2,5-dimethylphenyl)methyl]-4,7,8-trimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione

C25H32N6O3 — CID 16615235

About 2-[(2,5-dimethylphenyl)methyl]-4,7,8-trimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione

2-[(2,5-dimethylphenyl)methyl]-4,7,8-trimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione (PubChem CID 16615235) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-4,7,8-trimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

• Compound Name: 2-[(2,5-dimethylphenyl)methyl]-4,7,8-trimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
• PubChem CID: 16615235
• Molecular Formula: C25H32N6O3
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.25
• IUPAC Name: 2-[(2,5-dimethylphenyl)methyl]-4,7,8-trimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
• SMILES: Cc1ccc(C)c(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)c1
• InChI: InChI=1S/C25H32N6O3/c1-16-6-7-17(2)20(14-16)15-30-23(32)21-22(27(5)25(30)33)26-24-29(18(3)19(4)31(21)24)9-8-28-10-12-34-13-11-28/h6-7,14H,8-13,15H2,1-5H3
• InChIKey: QBDBNTQQIDOXNN-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 78.70 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-4,7,8-trimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione?

The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-4,7,8-trimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione (CID 16615235) is 2-[(2,5-dimethylphenyl)methyl]-4,7,8-trimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione.

What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-4,7,8-trimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione?

The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-4,7,8-trimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione is Cc1ccc(C)c(Cn2c(=O)c3c(nc4n(CCN5CCOCC5)c(C)c(C)n34)n(C)c2=O)c1.

What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-4,7,8-trimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione?

The InChIKey is QBDBNTQQIDOXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-16-6-7-17(2)20(14-16)15-30-23(32)21-22(27(5)25(30)33)26-24-29(18(3)19(4)31(21)24)9-8-28-10-12-34-13-11-28/h6-7,14H,8-13,15H2,1-5H3.

What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-4,7,8-trimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione?

2-[(2,5-dimethylphenyl)methyl]-4,7,8-trimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione has a molecular weight of 464.57 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,5-dimethylphenyl)methyl]-4,7,8-trimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 16615235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).