2-[2-tert-butyl-6-(6-pyridin-2-yloxy-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]benzenethiolate;platinum(2+)

C24H20N4OPtS — CID 153280451

About 2-[2-tert-butyl-6-(6-pyridin-2-yloxy-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]benzenethiolate;platinum(2+)

2-[2-tert-butyl-6-(6-pyridin-2-yloxy-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]benzenethiolate;platinum(2+) (PubChem CID 153280451) has the molecular formula C24H20N4OPtS and a molecular weight of 607.60 g/mol. Its IUPAC name is 2-[2-tert-butyl-6-(6-pyridin-2-yloxy-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]benzenethiolate;platinum(2+).

Molecular Properties

• Compound Name: 2-[2-tert-butyl-6-(6-pyridin-2-yloxy-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]benzenethiolate;platinum(2+)
• PubChem CID: 153280451
• Molecular Formula: C24H20N4OPtS
• Molecular Weight: 607.60 g/mol
• Exact Mass: 607.10
• IUPAC Name: 2-[2-tert-butyl-6-(6-pyridin-2-yloxy-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]benzenethiolate;platinum(2+)
• SMILES: CC(C)(C)c1nc(-c2cccc(Oc3ccccn3)n2)[c-]c(-c2ccccc2[S-])n1.[Pt+2]
• InChI: InChI=1S/C24H21N4OS.Pt/c1-24(2,3)23-27-18(16-9-4-5-11-20(16)30)15-19(28-23)17-10-8-13-22(26-17)29-21-12-6-7-14-25-21;/h4-14,30H,1-3H3;/q-1;+2/p-1
• InChIKey: ZZQYYURFLDZRHG-UHFFFAOYSA-M
• XLogP: 5.39
• TPSA: 60.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.60
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-tert-butyl-6-(6-pyridin-2-yloxy-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]benzenethiolate;platinum(2+)?

The IUPAC name of 2-[2-tert-butyl-6-(6-pyridin-2-yloxy-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]benzenethiolate;platinum(2+) (CID 153280451) is 2-[2-tert-butyl-6-(6-pyridin-2-yloxy-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]benzenethiolate;platinum(2+).

What is the SMILES notation for 2-[2-tert-butyl-6-(6-pyridin-2-yloxy-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]benzenethiolate;platinum(2+)?

The canonical SMILES for 2-[2-tert-butyl-6-(6-pyridin-2-yloxy-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]benzenethiolate;platinum(2+) is CC(C)(C)c1nc(-c2cccc(Oc3ccccn3)n2)[c-]c(-c2ccccc2[S-])n1.[Pt+2].

What is the InChIKey of 2-[2-tert-butyl-6-(6-pyridin-2-yloxy-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]benzenethiolate;platinum(2+)?

The InChIKey is ZZQYYURFLDZRHG-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H21N4OS.Pt/c1-24(2,3)23-27-18(16-9-4-5-11-20(16)30)15-19(28-23)17-10-8-13-22(26-17)29-21-12-6-7-14-25-21;/h4-14,30H,1-3H3;/q-1;+2/p-1.

What are the key properties of 2-[2-tert-butyl-6-(6-pyridin-2-yloxy-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]benzenethiolate;platinum(2+)?

2-[2-tert-butyl-6-(6-pyridin-2-yloxy-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]benzenethiolate;platinum(2+) has a molecular weight of 607.60 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-tert-butyl-6-(6-pyridin-2-yloxy-2-pyridinyl)-5H-pyrimidin-5-id-4-yl]benzenethiolate;platinum(2+) is sourced from PubChem (CID 153280451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).