4-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;pentakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine

C71H67F15Ir5N15-5 — CID 158532791

About 4-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;pentakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine

4-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;pentakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine (PubChem CID 158532791) has the molecular formula C71H67F15Ir5N15-5 and a molecular weight of 2376.48 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;pentakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;pentakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine
• PubChem CID: 158532791
• Molecular Formula: C71H67F15Ir5N15-5
• Molecular Weight: 2376.48 g/mol
• Exact Mass: 2379.36
• IUPAC Name: 4-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;pentakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine
• SMILES: Cc1cc(-c2ncc(C(C)(C)C)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2nccc(C(C)(C)C)n2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cnccn1.Cc1nc(C(F)(F)F)c[c-]c1-c1ncc(C(C)(C)C)cn1.Cc1nc(C(F)(F)F)c[c-]c1-c1nccc(C(C)(C)C)n1.[Ir].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C15H15F3N3.C11H7F3N3.5Ir/c1-9-5-10(6-12(21-9)15(16,17)18)13-19-7-11(8-20-13)14(2,3)4;1-9-11(5-6-12(21-9)15(16,17)18)13-19-7-10(8-20-13)14(2,3)4;1-9-7-10(8-12(20-9)15(16,17)18)13-19-6-5-11(21-13)14(2,3)4;1-9-10(5-6-12(20-9)15(16,17)18)13-19-8-7-11(21-13)14(2,3)4;1-7-8(9-6-15-4-5-16-9)2-3-10(17-7)11(12,13)14;;;;;/h5,7-8H,1-4H3;6-8H,1-4H3;5-7H,1-4H3;6-8H,1-4H3;3-6H,1H3;;;;;/q5*-1
• InChIKey: XWKNFTKZZZHCRA-UHFFFAOYSA-N
• XLogP: 18.51
• TPSA: 193.35 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2376.48
LogP ≤ 5	18.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;pentakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine?

The IUPAC name of 4-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;pentakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine (CID 158532791) is 4-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;pentakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine.

What is the SMILES notation for 4-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;pentakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine?

The canonical SMILES for 4-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;pentakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine is Cc1cc(-c2ncc(C(C)(C)C)cn2)[c-]c(C(F)(F)F)n1.Cc1cc(-c2nccc(C(C)(C)C)n2)[c-]c(C(F)(F)F)n1.Cc1nc(C(F)(F)F)c[c-]c1-c1cnccn1.Cc1nc(C(F)(F)F)c[c-]c1-c1ncc(C(C)(C)C)cn1.Cc1nc(C(F)(F)F)c[c-]c1-c1nccc(C(C)(C)C)n1.[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 4-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;pentakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine?

The InChIKey is XWKNFTKZZZHCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H15F3N3.C11H7F3N3.5Ir/c1-9-5-10(6-12(21-9)15(16,17)18)13-19-7-11(8-20-13)14(2,3)4;1-9-11(5-6-12(21-9)15(16,17)18)13-19-7-10(8-20-13)14(2,3)4;1-9-7-10(8-12(20-9)15(16,17)18)13-19-6-5-11(21-13)14(2,3)4;1-9-10(5-6-12(20-9)15(16,17)18)13-19-8-7-11(21-13)14(2,3)4;1-7-8(9-6-15-4-5-16-9)2-3-10(17-7)11(12,13)14;;;;;/h5,7-8H,1-4H3;6-8H,1-4H3;5-7H,1-4H3;6-8H,1-4H3;3-6H,1H3;;;;;/q5*-1;;;;;.

What are the key properties of 4-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;pentakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine?

4-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;pentakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine has a molecular weight of 2376.48 g/mol, XLogP of 18.51, 5 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;5-tert-butyl-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;5-tert-butyl-2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]pyrimidine;pentakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrazine is sourced from PubChem (CID 158532791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).