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

C20H22F3N8Pt-3 — CID 140820600

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

2-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum (PubChem CID 140820600) has the molecular formula C20H22F3N8Pt-3 and a molecular weight of 626.52 g/mol. Its IUPAC name is 2-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum
• PubChem CID: 140820600
• Molecular Formula: C20H22F3N8Pt-3
• Molecular Weight: 626.52 g/mol
• Exact Mass: 626.16
• IUPAC Name: 2-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum
• SMILES: CN1C=CN(c2[c-]nc(C(C)(C)C)nc2)[CH-]1.Cn1ccnc1-c1cc(C(F)(F)F)n[n-]1.[Pt]
• InChI: InChI=1S/C12H16N4.C8H6F3N4.Pt/c1-12(2,3)11-13-7-10(8-14-11)16-6-5-15(4)9-16;1-15-3-2-12-7(15)5-4-6(14-13-5)8(9,10)11;/h5-7,9H,1-4H3;2-4H,1H3;/q-2;-1
• InChIKey: INYXGSYVQSVOMQ-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 77.07 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	626.52
LogP ≤ 5	3.37
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-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum?

The IUPAC name of 2-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum (CID 140820600) is 2-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum.

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

The canonical SMILES for 2-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum is CN1C=CN(c2[c-]nc(C(C)(C)C)nc2)[CH-]1.Cn1ccnc1-c1cc(C(F)(F)F)n[n-]1.[Pt].

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

The InChIKey is INYXGSYVQSVOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4.C8H6F3N4.Pt/c1-12(2,3)11-13-7-10(8-14-11)16-6-5-15(4)9-16;1-15-3-2-12-7(15)5-4-6(14-13-5)8(9,10)11;/h5-7,9H,1-4H3;2-4H,1H3;/q-2;-1;.

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

2-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum has a molecular weight of 626.52 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide;5-(1-methylimidazol-2-yl)-3-(trifluoromethyl)pyrazol-1-ide;platinum is sourced from PubChem (CID 140820600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).