6-(2-methoxy-5-methylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione

C22H27N5O3 — CID 7520601

About 6-(2-methoxy-5-methylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione

6-(2-methoxy-5-methylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione (PubChem CID 7520601) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-(2-methoxy-5-methylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

• Compound Name: 6-(2-methoxy-5-methylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
• PubChem CID: 7520601
• Molecular Formula: C22H27N5O3
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.21
• IUPAC Name: 6-(2-methoxy-5-methylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
• SMILES: COc1ccc(C)cc1-n1c(C)c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc12
• InChI: InChI=1S/C22H27N5O3/c1-12(2)11-25-20(28)18-19(24(6)22(25)29)23-21-26(14(4)15(5)27(18)21)16-10-13(3)8-9-17(16)30-7/h8-10,12H,11H2,1-7H3
• InChIKey: FGODYFFBCCURQV-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 75.46 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-5-methylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione?

The IUPAC name of 6-(2-methoxy-5-methylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione (CID 7520601) is 6-(2-methoxy-5-methylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione.

What is the SMILES notation for 6-(2-methoxy-5-methylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione?

The canonical SMILES for 6-(2-methoxy-5-methylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione is COc1ccc(C)cc1-n1c(C)c(C)n2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc12.

What is the InChIKey of 6-(2-methoxy-5-methylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione?

The InChIKey is FGODYFFBCCURQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-12(2)11-25-20(28)18-19(24(6)22(25)29)23-21-26(14(4)15(5)27(18)21)16-10-13(3)8-9-17(16)30-7/h8-10,12H,11H2,1-7H3.

What are the key properties of 6-(2-methoxy-5-methylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione?

6-(2-methoxy-5-methylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione has a molecular weight of 409.49 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-methoxy-5-methylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 7520601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).