dichlororuthenium;5-methyl-1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyrimidine-2,4-dione;bis(2-pyridin-2-ylpyridine)

C37H32Cl2N8O2Ru — CID 161444147

About dichlororuthenium;5-methyl-1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyrimidine-2,4-dione;bis(2-pyridin-2-ylpyridine)

dichlororuthenium;5-methyl-1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyrimidine-2,4-dione;bis(2-pyridin-2-ylpyridine) (PubChem CID 161444147) has the molecular formula C37H32Cl2N8O2Ru and a molecular weight of 792.69 g/mol. Its IUPAC name is dichlororuthenium;5-methyl-1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyrimidine-2,4-dione;bis(2-pyridin-2-ylpyridine).

Molecular Properties

• Compound Name: dichlororuthenium;5-methyl-1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyrimidine-2,4-dione;bis(2-pyridin-2-ylpyridine)
• PubChem CID: 161444147
• Molecular Formula: C37H32Cl2N8O2Ru
• Molecular Weight: 792.69 g/mol
• Exact Mass: 792.11
• IUPAC Name: dichlororuthenium;5-methyl-1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyrimidine-2,4-dione;bis(2-pyridin-2-ylpyridine)
• SMILES: Cc1ccnc(-c2cc(Cn3cc(C)c(=O)[nH]c3=O)ccn2)c1.Cl[Ru]Cl.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C17H16N4O2.2C10H8N2.2ClH.Ru/c1-11-3-5-18-14(7-11)15-8-13(4-6-19-15)10-21-9-12(2)16(22)20-17(21)23;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3-9H,10H2,1-2H3,(H,20,22,23);2*1-8H;2*1H;/q;;;;;+2/p-2
• InChIKey: VZRBJQQVIXGXSA-UHFFFAOYSA-L
• XLogP: 7.32
• TPSA: 132.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.69
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;5-methyl-1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyrimidine-2,4-dione;bis(2-pyridin-2-ylpyridine)?

The IUPAC name of dichlororuthenium;5-methyl-1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyrimidine-2,4-dione;bis(2-pyridin-2-ylpyridine) (CID 161444147) is dichlororuthenium;5-methyl-1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyrimidine-2,4-dione;bis(2-pyridin-2-ylpyridine).

What is the SMILES notation for dichlororuthenium;5-methyl-1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyrimidine-2,4-dione;bis(2-pyridin-2-ylpyridine)?

The canonical SMILES for dichlororuthenium;5-methyl-1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyrimidine-2,4-dione;bis(2-pyridin-2-ylpyridine) is Cc1ccnc(-c2cc(Cn3cc(C)c(=O)[nH]c3=O)ccn2)c1.Cl[Ru]Cl.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of dichlororuthenium;5-methyl-1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyrimidine-2,4-dione;bis(2-pyridin-2-ylpyridine)?

The InChIKey is VZRBJQQVIXGXSA-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H16N4O2.2C10H8N2.2ClH.Ru/c1-11-3-5-18-14(7-11)15-8-13(4-6-19-15)10-21-9-12(2)16(22)20-17(21)23;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h3-9H,10H2,1-2H3,(H,20,22,23);2*1-8H;2*1H;/q;;;;;+2/p-2.

What are the key properties of dichlororuthenium;5-methyl-1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyrimidine-2,4-dione;bis(2-pyridin-2-ylpyridine)?

dichlororuthenium;5-methyl-1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyrimidine-2,4-dione;bis(2-pyridin-2-ylpyridine) has a molecular weight of 792.69 g/mol, XLogP of 7.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for dichlororuthenium;5-methyl-1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyrimidine-2,4-dione;bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 161444147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).