2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum

C22H18F3N8Pt-3 — CID 162287726

About 2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum

2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum (PubChem CID 162287726) has the molecular formula C22H18F3N8Pt-3 and a molecular weight of 646.51 g/mol. Its IUPAC name is 2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum
• PubChem CID: 162287726
• Molecular Formula: C22H18F3N8Pt-3
• Molecular Weight: 646.51 g/mol
• Exact Mass: 646.13
• IUPAC Name: 2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum
• SMILES: Cc1n[c-]c(N2C=CN(C)[CH-]2)cn1.FC(F)(F)c1cc(-c2nccn2-c2ccccc2)[n-]n1.[Pt]
• InChI: InChI=1S/C13H8F3N4.C9H10N4.Pt/c14-13(15,16)11-8-10(18-19-11)12-17-6-7-20(12)9-4-2-1-3-5-9;1-8-10-5-9(6-11-8)13-4-3-12(2)7-13;/h1-8H;3-5,7H,1-2H3;/q-1;-2
• InChIKey: BAFQTCQIAOKTRY-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 77.07 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	646.51
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum?

The IUPAC name of 2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum (CID 162287726) is 2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum.

What is the SMILES notation for 2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum?

The canonical SMILES for 2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum is Cc1n[c-]c(N2C=CN(C)[CH-]2)cn1.FC(F)(F)c1cc(-c2nccn2-c2ccccc2)[n-]n1.[Pt].

What is the InChIKey of 2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum?

The InChIKey is BAFQTCQIAOKTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N4.C9H10N4.Pt/c14-13(15,16)11-8-10(18-19-11)12-17-6-7-20(12)9-4-2-1-3-5-9;1-8-10-5-9(6-11-8)13-4-3-12(2)7-13;/h1-8H;3-5,7H,1-2H3;/q-1;-2;.

What are the key properties of 2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum?

2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum has a molecular weight of 646.51 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-phenylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum is sourced from PubChem (CID 162287726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).