6-(4-methoxyphenyl)-2,4-dimethyl-7-naphthalen-2-ylpurino[7,8-a]imidazole-1,3-dione

C26H21N5O3 — CID 4987572

About 6-(4-methoxyphenyl)-2,4-dimethyl-7-naphthalen-2-ylpurino[7,8-a]imidazole-1,3-dione

6-(4-methoxyphenyl)-2,4-dimethyl-7-naphthalen-2-ylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 4987572) has the molecular formula C26H21N5O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2,4-dimethyl-7-naphthalen-2-ylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

• Compound Name: 6-(4-methoxyphenyl)-2,4-dimethyl-7-naphthalen-2-ylpurino[7,8-a]imidazole-1,3-dione
• PubChem CID: 4987572
• Molecular Formula: C26H21N5O3
• Molecular Weight: 451.49 g/mol
• Exact Mass: 451.16
• IUPAC Name: 6-(4-methoxyphenyl)-2,4-dimethyl-7-naphthalen-2-ylpurino[7,8-a]imidazole-1,3-dione
• SMILES: COc1ccc(-n2c(-c3ccc4ccccc4c3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1
• InChI: InChI=1S/C26H21N5O3/c1-28-23-22(24(32)29(2)26(28)33)30-15-21(18-9-8-16-6-4-5-7-17(16)14-18)31(25(30)27-23)19-10-12-20(34-3)13-11-19/h4-15H,1-3H3
• InChIKey: OQCZXQMKDULPNZ-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 75.46 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.49
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-(4-methoxyphenyl)-2,4-dimethyl-7-naphthalen-2-ylpurino[7,8-a]imidazole-1,3-dione (CID 4987572) is 6-(4-methoxyphenyl)-2,4-dimethyl-7-naphthalen-2-ylpurino[7,8-a]imidazole-1,3-dione.

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

The canonical SMILES for 6-(4-methoxyphenyl)-2,4-dimethyl-7-naphthalen-2-ylpurino[7,8-a]imidazole-1,3-dione is COc1ccc(-n2c(-c3ccc4ccccc4c3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1.

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

The InChIKey is OQCZXQMKDULPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3/c1-28-23-22(24(32)29(2)26(28)33)30-15-21(18-9-8-16-6-4-5-7-17(16)14-18)31(25(30)27-23)19-10-12-20(34-3)13-11-19/h4-15H,1-3H3.

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

6-(4-methoxyphenyl)-2,4-dimethyl-7-naphthalen-2-ylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 451.49 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-methoxyphenyl)-2,4-dimethyl-7-naphthalen-2-ylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 4987572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).