8-methyl-1-phenyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-purine-2,6-dione

C26H20N8O2 — CID 67911492

About 8-methyl-1-phenyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-purine-2,6-dione

8-methyl-1-phenyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-purine-2,6-dione (PubChem CID 67911492) has the molecular formula C26H20N8O2 and a molecular weight of 476.50 g/mol. Its IUPAC name is 8-methyl-1-phenyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-purine-2,6-dione.

Molecular Properties

• Compound Name: 8-methyl-1-phenyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-purine-2,6-dione
• PubChem CID: 67911492
• Molecular Formula: C26H20N8O2
• Molecular Weight: 476.50 g/mol
• Exact Mass: 476.17
• IUPAC Name: 8-methyl-1-phenyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-purine-2,6-dione
• SMILES: Cc1nc2[nH]c(=O)n(-c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C26H20N8O2/c1-16-27-24-22(25(35)34(26(36)28-24)19-7-3-2-4-8-19)33(16)15-17-11-13-18(14-12-17)20-9-5-6-10-21(20)23-29-31-32-30-23/h2-14H,15H2,1H3,(H,28,36)(H,29,30,31,32)
• InChIKey: CYSIVBULRZVNKY-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 127.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.50
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-phenyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-purine-2,6-dione?

The IUPAC name of 8-methyl-1-phenyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-purine-2,6-dione (CID 67911492) is 8-methyl-1-phenyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-purine-2,6-dione.

What is the SMILES notation for 8-methyl-1-phenyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-purine-2,6-dione?

The canonical SMILES for 8-methyl-1-phenyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-purine-2,6-dione is Cc1nc2[nH]c(=O)n(-c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.

What is the InChIKey of 8-methyl-1-phenyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-purine-2,6-dione?

The InChIKey is CYSIVBULRZVNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N8O2/c1-16-27-24-22(25(35)34(26(36)28-24)19-7-3-2-4-8-19)33(16)15-17-11-13-18(14-12-17)20-9-5-6-10-21(20)23-29-31-32-30-23/h2-14H,15H2,1H3,(H,28,36)(H,29,30,31,32).

What are the key properties of 8-methyl-1-phenyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-purine-2,6-dione?

8-methyl-1-phenyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-purine-2,6-dione has a molecular weight of 476.50 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-1-phenyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3H-purine-2,6-dione is sourced from PubChem (CID 67911492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).