bis(2-pyrimidin-1-ium-2-ylpyrimidine);2-pyrimidin-2-ylpyrimidine;ruthenium(6+)

C24H20N12Ru+8 — CID 138967951

IUPACbis(2-pyrimidin-1-ium-2-ylpyrimidine);2-pyrimidin-2-ylpyrimidine;ruthenium(6+)
SMILES[Ru+6].c1cnc(-c2nccc[nH+]2)nc1.c1cnc(-c2nccc[nH+]2)nc1.c1cnc(-c2ncccn2)nc1
InChIInChI=1S/3C8H6N4.Ru/c3*1-3-9-7(10-4-1)8-11-5-2-6-12-8;/h3*1-6H;/q;;;+6/p+2
InChIKeyHPCYBTQGWUDZQS-UHFFFAOYSA-P
MW577.58 g/mol
LogP1.64
Rot. Bonds3

About bis(2-pyrimidin-1-ium-2-ylpyrimidine);2-pyrimidin-2-ylpyrimidine;ruthenium(6+)

bis(2-pyrimidin-1-ium-2-ylpyrimidine);2-pyrimidin-2-ylpyrimidine;ruthenium(6+) (PubChem CID 138967951) has the molecular formula C24H20N12Ru+8 and a molecular weight of 577.58 g/mol. Its IUPAC name is bis(2-pyrimidin-1-ium-2-ylpyrimidine);2-pyrimidin-2-ylpyrimidine;ruthenium(6+).

Molecular Properties

Compound Namebis(2-pyrimidin-1-ium-2-ylpyrimidine);2-pyrimidin-2-ylpyrimidine;ruthenium(6+)
PubChem CID138967951
Molecular FormulaC24H20N12Ru+8
Molecular Weight577.58 g/mol
Exact Mass578.09
IUPAC Namebis(2-pyrimidin-1-ium-2-ylpyrimidine);2-pyrimidin-2-ylpyrimidine;ruthenium(6+)
SMILES[Ru+6].c1cnc(-c2nccc[nH+]2)nc1.c1cnc(-c2nccc[nH+]2)nc1.c1cnc(-c2ncccn2)nc1
InChIInChI=1S/3C8H6N4.Ru/c3*1-3-9-7(10-4-1)8-11-5-2-6-12-8;/h3*1-6H;/q;;;+6/p+2
InChIKeyHPCYBTQGWUDZQS-UHFFFAOYSA-P
XLogP1.64
TPSA157.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.58
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of bis(2-pyrimidin-1-ium-2-ylpyrimidine);2-pyrimidin-2-ylpyrimidine;ruthenium(6+)?
The IUPAC name of bis(2-pyrimidin-1-ium-2-ylpyrimidine);2-pyrimidin-2-ylpyrimidine;ruthenium(6+) (CID 138967951) is bis(2-pyrimidin-1-ium-2-ylpyrimidine);2-pyrimidin-2-ylpyrimidine;ruthenium(6+).
What is the SMILES notation for bis(2-pyrimidin-1-ium-2-ylpyrimidine);2-pyrimidin-2-ylpyrimidine;ruthenium(6+)?
The canonical SMILES for bis(2-pyrimidin-1-ium-2-ylpyrimidine);2-pyrimidin-2-ylpyrimidine;ruthenium(6+) is [Ru+6].c1cnc(-c2nccc[nH+]2)nc1.c1cnc(-c2nccc[nH+]2)nc1.c1cnc(-c2ncccn2)nc1.
What is the InChIKey of bis(2-pyrimidin-1-ium-2-ylpyrimidine);2-pyrimidin-2-ylpyrimidine;ruthenium(6+)?
The InChIKey is HPCYBTQGWUDZQS-UHFFFAOYSA-P. The full InChI is InChI=1S/3C8H6N4.Ru/c3*1-3-9-7(10-4-1)8-11-5-2-6-12-8;/h3*1-6H;/q;;;+6/p+2.
What are the key properties of bis(2-pyrimidin-1-ium-2-ylpyrimidine);2-pyrimidin-2-ylpyrimidine;ruthenium(6+)?
bis(2-pyrimidin-1-ium-2-ylpyrimidine);2-pyrimidin-2-ylpyrimidine;ruthenium(6+) has a molecular weight of 577.58 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-pyrimidin-1-ium-2-ylpyrimidine);2-pyrimidin-2-ylpyrimidine;ruthenium(6+) is sourced from PubChem (CID 138967951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).