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

C20H23N5O2 — CID 6484869

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

4,7-dimethyl-2-[(2-methylphenyl)methyl]-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 6484869) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4,7-dimethyl-2-[(2-methylphenyl)methyl]-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

• Compound Name: 4,7-dimethyl-2-[(2-methylphenyl)methyl]-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione
• PubChem CID: 6484869
• Molecular Formula: C20H23N5O2
• Molecular Weight: 365.44 g/mol
• Exact Mass: 365.19
• IUPAC Name: 4,7-dimethyl-2-[(2-methylphenyl)methyl]-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione
• SMILES: Cc1ccccc1Cn1c(=O)c2c(nc3n(C(C)C)c(C)cn23)n(C)c1=O
• InChI: InChI=1S/C20H23N5O2/c1-12(2)25-14(4)10-23-16-17(21-19(23)25)22(5)20(27)24(18(16)26)11-15-9-7-6-8-13(15)3/h6-10,12H,11H2,1-5H3
• InChIKey: FRVSROJJRLPJBD-UHFFFAOYSA-N
• XLogP: 2.40
• 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	2.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4,7-dimethyl-2-[(2-methylphenyl)methyl]-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione (CID 6484869) is 4,7-dimethyl-2-[(2-methylphenyl)methyl]-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione.

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

The canonical SMILES for 4,7-dimethyl-2-[(2-methylphenyl)methyl]-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione is Cc1ccccc1Cn1c(=O)c2c(nc3n(C(C)C)c(C)cn23)n(C)c1=O.

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

The InChIKey is FRVSROJJRLPJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-12(2)25-14(4)10-23-16-17(21-19(23)25)22(5)20(27)24(18(16)26)11-15-9-7-6-8-13(15)3/h6-10,12H,11H2,1-5H3.

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

4,7-dimethyl-2-[(2-methylphenyl)methyl]-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 365.44 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-dimethyl-2-[(2-methylphenyl)methyl]-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 6484869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).