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

C25H25N5O2 — CID 16811915

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

4,7-dimethyl-2-[(3-methylphenyl)methyl]-6-(1-phenylethyl)purino[7,8-a]imidazole-1,3-dione (PubChem CID 16811915) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 4,7-dimethyl-2-[(3-methylphenyl)methyl]-6-(1-phenylethyl)purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

• Compound Name: 4,7-dimethyl-2-[(3-methylphenyl)methyl]-6-(1-phenylethyl)purino[7,8-a]imidazole-1,3-dione
• PubChem CID: 16811915
• Molecular Formula: C25H25N5O2
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.20
• IUPAC Name: 4,7-dimethyl-2-[(3-methylphenyl)methyl]-6-(1-phenylethyl)purino[7,8-a]imidazole-1,3-dione
• SMILES: Cc1cccc(Cn2c(=O)c3c(nc4n(C(C)c5ccccc5)c(C)cn34)n(C)c2=O)c1
• InChI: InChI=1S/C25H25N5O2/c1-16-9-8-10-19(13-16)15-29-23(31)21-22(27(4)25(29)32)26-24-28(21)14-17(2)30(24)18(3)20-11-6-5-7-12-20/h5-14,18H,15H2,1-4H3
• InChIKey: GLHIIRDDCRJLST-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 66.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4,7-dimethyl-2-[(3-methylphenyl)methyl]-6-(1-phenylethyl)purino[7,8-a]imidazole-1,3-dione (CID 16811915) is 4,7-dimethyl-2-[(3-methylphenyl)methyl]-6-(1-phenylethyl)purino[7,8-a]imidazole-1,3-dione.

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

The canonical SMILES for 4,7-dimethyl-2-[(3-methylphenyl)methyl]-6-(1-phenylethyl)purino[7,8-a]imidazole-1,3-dione is Cc1cccc(Cn2c(=O)c3c(nc4n(C(C)c5ccccc5)c(C)cn34)n(C)c2=O)c1.

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

The InChIKey is GLHIIRDDCRJLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-16-9-8-10-19(13-16)15-29-23(31)21-22(27(4)25(29)32)26-24-28(21)14-17(2)30(24)18(3)20-11-6-5-7-12-20/h5-14,18H,15H2,1-4H3.

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

4,7-dimethyl-2-[(3-methylphenyl)methyl]-6-(1-phenylethyl)purino[7,8-a]imidazole-1,3-dione has a molecular weight of 427.51 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-dimethyl-2-[(3-methylphenyl)methyl]-6-(1-phenylethyl)purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 16811915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).