Gold;7H-purine;pyrimidine

C₉H₈AuN₆ — CID 160695672

About Gold;7H-purine;pyrimidine

Gold;7H-purine;pyrimidine (PubChem CID 160695672) has the molecular formula C₉H₈AuN₆ and a molecular weight of 397.17 g/mol. Its IUPAC name is gold;7H-purine;pyrimidine.

Molecular Properties

• Compound Name: Gold;7H-purine;pyrimidine
• PubChem CID: 160695672
• Molecular Formula: C₉H₈AuN₆
• Molecular Weight: 397.17 g/mol
• Exact Mass: 397.05
• IUPAC Name: gold;7H-purine;pyrimidine
• SMILES: [Au].c1cncnc1.c1ncc2[nH]cnc2n1
• InChI: InChI=1S/C5H4N4.C4H4N2.Au/c1-4-5(8-2-6-1)9-3-7-4;1-2-5-4-6-3-1;/h1-3H,(H,6,7,8,9);1-4H
• InChIKey: RPYSEHNXQMQFHO-UHFFFAOYSA-N
• XLogP: 0.83
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.17
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Gold;7H-purine;pyrimidine?

The IUPAC name of Gold;7H-purine;pyrimidine (CID 160695672) is gold;7H-purine;pyrimidine.

What is the SMILES notation for Gold;7H-purine;pyrimidine?

The canonical SMILES for Gold;7H-purine;pyrimidine is [Au].c1cncnc1.c1ncc2[nH]cnc2n1.

What is the InChIKey of Gold;7H-purine;pyrimidine?

The InChIKey is RPYSEHNXQMQFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4.C4H4N2.Au/c1-4-5(8-2-6-1)9-3-7-4;1-2-5-4-6-3-1;/h1-3H,(H,6,7,8,9);1-4H;.

What are the key properties of Gold;7H-purine;pyrimidine?

Gold;7H-purine;pyrimidine has a molecular weight of 397.17 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Gold;7H-purine;pyrimidine is sourced from PubChem (CID 160695672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160695672 — identifiers, structure, computed properties (public domain)

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