gold;7H-purine;pyrimidine

C9H8AuN6 — CID 160695672

IUPACgold;7H-purine;pyrimidine
SMILES[Au].c1cncnc1.c1ncc2[nH]cnc2n1
InChIInChI=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;
InChIKeyRPYSEHNXQMQFHO-UHFFFAOYSA-N
MW397.17 g/mol
LogP0.83
Rot. Bonds

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 Namegold;7H-purine;pyrimidine
PubChem CID160695672
Molecular FormulaC9H8AuN6
Molecular Weight397.17 g/mol
Exact Mass397.05
IUPAC Namegold;7H-purine;pyrimidine
SMILES[Au].c1cncnc1.c1ncc2[nH]cnc2n1
InChIInChI=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;
InChIKeyRPYSEHNXQMQFHO-UHFFFAOYSA-N
XLogP0.83
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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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).