tris(2-pyrimidin-2-ylpyrimidine);ruthenium(2+)

C24H18N12Ru+2 — CID 162406437

IUPACtris(2-pyrimidin-2-ylpyrimidine);ruthenium(2+)
SMILES[Ru+2].c1cnc(-c2ncccn2)nc1.c1cnc(-c2ncccn2)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;;;+2
InChIKeyZCWZXOGWEFPPNJ-UHFFFAOYSA-N
MW575.56 g/mol
LogP2.80
Rot. Bonds3

About tris(2-pyrimidin-2-ylpyrimidine);ruthenium(2+)

tris(2-pyrimidin-2-ylpyrimidine);ruthenium(2+) (PubChem CID 162406437) has the molecular formula C24H18N12Ru+2 and a molecular weight of 575.56 g/mol. Its IUPAC name is tris(2-pyrimidin-2-ylpyrimidine);ruthenium(2+).

Molecular Properties

Compound Nametris(2-pyrimidin-2-ylpyrimidine);ruthenium(2+)
PubChem CID162406437
Molecular FormulaC24H18N12Ru+2
Molecular Weight575.56 g/mol
Exact Mass576.08
IUPAC Nametris(2-pyrimidin-2-ylpyrimidine);ruthenium(2+)
SMILES[Ru+2].c1cnc(-c2ncccn2)nc1.c1cnc(-c2ncccn2)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;;;+2
InChIKeyZCWZXOGWEFPPNJ-UHFFFAOYSA-N
XLogP2.80
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.56
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze tris(2-pyrimidin-2-ylpyrimidine);ruthenium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris(2-pyrimidin-2-ylpyrimidine);ruthenium(2+)?
The IUPAC name of tris(2-pyrimidin-2-ylpyrimidine);ruthenium(2+) (CID 162406437) is tris(2-pyrimidin-2-ylpyrimidine);ruthenium(2+).
What is the SMILES notation for tris(2-pyrimidin-2-ylpyrimidine);ruthenium(2+)?
The canonical SMILES for tris(2-pyrimidin-2-ylpyrimidine);ruthenium(2+) is [Ru+2].c1cnc(-c2ncccn2)nc1.c1cnc(-c2ncccn2)nc1.c1cnc(-c2ncccn2)nc1.
What is the InChIKey of tris(2-pyrimidin-2-ylpyrimidine);ruthenium(2+)?
The InChIKey is ZCWZXOGWEFPPNJ-UHFFFAOYSA-N. 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;;;+2.
What are the key properties of tris(2-pyrimidin-2-ylpyrimidine);ruthenium(2+)?
tris(2-pyrimidin-2-ylpyrimidine);ruthenium(2+) has a molecular weight of 575.56 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-pyrimidin-2-ylpyrimidine);ruthenium(2+) is sourced from PubChem (CID 162406437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).