2-methyl-5-(3-methylimidazole-1,3-diium-1-yl)-4H-pyrimidin-4-ide;tetrakis(2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C90H73F18N37Pt5-10 — CID 162287736

IUPAC2-methyl-5-(3-methylimidazole-1,3-diium-1-yl)-4H-pyrimidin-4-ide;tetrakis(2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCc1c(C(F)(F)F)n[n-]c1-c1ccccn1.Cc1n[c-]c(N2C=CN(C)[CH-]2)cn1.Cc1n[c-]c(N2C=CN(C)[CH-]2)cn1.Cc1n[c-]c(N2C=CN(C)[CH-]2)cn1.Cc1n[c-]c(N2C=CN(C)[CH-]2)cn1.Cc1n[c-]c([N+]2=C=[N+](C)C=C2)cn1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccncn2)[n-]n1.FC(F)(F)c1cc(-c2ncccn2)[n-]n1.FC(F)(F)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.[Pt+2].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C10H4F6N3.C10H7F3N3.C9H5F3N3.4C9H10N4.C9H9N4.2C8H4F3N4.5Pt/c11-9(12,13)5-1-2-17-6(3-5)7-4-8(19-18-7)10(14,15)16;1-6-8(7-4-2-3-5-14-7)15-16-9(6)10(11,12)13;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;5*1-8-10-5-9(6-11-8)13-4-3-12(2)7-13;9-8(10,11)7-3-6(14-15-7)5-1-2-12-4-13-5;9-8(10,11)6-4-5(14-15-6)7-12-2-1-3-13-7;;;;;/h1-4H;2-5H,1H3;1-5H;4*3-5,7H,1-2H3;3-5H,1-2H3;2*1-4H;;;;;/q3*-1;4*-2;+1;2*-1;;;;;+2
InChIKeyMDUQXQXAQKHPQF-UHFFFAOYSA-N
MW2990.19 g/mol
LogP14.94
Rot. Bonds10

About 2-methyl-5-(3-methylimidazole-1,3-diium-1-yl)-4H-pyrimidin-4-ide;tetrakis(2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

2-methyl-5-(3-methylimidazole-1,3-diium-1-yl)-4H-pyrimidin-4-ide;tetrakis(2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 162287736) has the molecular formula C90H73F18N37Pt5-10 and a molecular weight of 2990.19 g/mol. Its IUPAC name is 2-methyl-5-(3-methylimidazole-1,3-diium-1-yl)-4H-pyrimidin-4-ide;tetrakis(2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Name2-methyl-5-(3-methylimidazole-1,3-diium-1-yl)-4H-pyrimidin-4-ide;tetrakis(2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID162287736
Molecular FormulaC90H73F18N37Pt5-10
Molecular Weight2990.19 g/mol
Exact Mass2988.49
IUPAC Name2-methyl-5-(3-methylimidazole-1,3-diium-1-yl)-4H-pyrimidin-4-ide;tetrakis(2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCc1c(C(F)(F)F)n[n-]c1-c1ccccn1.Cc1n[c-]c(N2C=CN(C)[CH-]2)cn1.Cc1n[c-]c(N2C=CN(C)[CH-]2)cn1.Cc1n[c-]c(N2C=CN(C)[CH-]2)cn1.Cc1n[c-]c(N2C=CN(C)[CH-]2)cn1.Cc1n[c-]c([N+]2=C=[N+](C)C=C2)cn1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccncn2)[n-]n1.FC(F)(F)c1cc(-c2ncccn2)[n-]n1.FC(F)(F)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.[Pt+2].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C10H4F6N3.C10H7F3N3.C9H5F3N3.4C9H10N4.C9H9N4.2C8H4F3N4.5Pt/c11-9(12,13)5-1-2-17-6(3-5)7-4-8(19-18-7)10(14,15)16;1-6-8(7-4-2-3-5-14-7)15-16-9(6)10(11,12)13;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;5*1-8-10-5-9(6-11-8)13-4-3-12(2)7-13;9-8(10,11)7-3-6(14-15-7)5-1-2-12-4-13-5;9-8(10,11)6-4-5(14-15-6)7-12-2-1-3-13-7;;;;;/h1-4H;2-5H,1H3;1-5H;4*3-5,7H,1-2H3;3-5H,1-2H3;2*1-4H;;;;;/q3*-1;4*-2;+1;2*-1;;;;;+2
InChIKeyMDUQXQXAQKHPQF-UHFFFAOYSA-N
XLogP14.94
TPSA386.02 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds10
Heavy Atoms150
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002990.19
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-methyl-5-(3-methylimidazole-1,3-diium-1-yl)-4H-pyrimidin-4-ide;tetrakis(2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylimidazole-1,3-diium-1-yl)-4H-pyrimidin-4-ide;tetrakis(2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of 2-methyl-5-(3-methylimidazole-1,3-diium-1-yl)-4H-pyrimidin-4-ide;tetrakis(2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 162287736) is 2-methyl-5-(3-methylimidazole-1,3-diium-1-yl)-4H-pyrimidin-4-ide;tetrakis(2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for 2-methyl-5-(3-methylimidazole-1,3-diium-1-yl)-4H-pyrimidin-4-ide;tetrakis(2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for 2-methyl-5-(3-methylimidazole-1,3-diium-1-yl)-4H-pyrimidin-4-ide;tetrakis(2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is Cc1c(C(F)(F)F)n[n-]c1-c1ccccn1.Cc1n[c-]c(N2C=CN(C)[CH-]2)cn1.Cc1n[c-]c(N2C=CN(C)[CH-]2)cn1.Cc1n[c-]c(N2C=CN(C)[CH-]2)cn1.Cc1n[c-]c(N2C=CN(C)[CH-]2)cn1.Cc1n[c-]c([N+]2=C=[N+](C)C=C2)cn1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccncn2)[n-]n1.FC(F)(F)c1cc(-c2ncccn2)[n-]n1.FC(F)(F)c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.[Pt+2].[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2-methyl-5-(3-methylimidazole-1,3-diium-1-yl)-4H-pyrimidin-4-ide;tetrakis(2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is MDUQXQXAQKHPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F6N3.C10H7F3N3.C9H5F3N3.4C9H10N4.C9H9N4.2C8H4F3N4.5Pt/c11-9(12,13)5-1-2-17-6(3-5)7-4-8(19-18-7)10(14,15)16;1-6-8(7-4-2-3-5-14-7)15-16-9(6)10(11,12)13;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;5*1-8-10-5-9(6-11-8)13-4-3-12(2)7-13;9-8(10,11)7-3-6(14-15-7)5-1-2-12-4-13-5;9-8(10,11)6-4-5(14-15-6)7-12-2-1-3-13-7;;;;;/h1-4H;2-5H,1H3;1-5H;4*3-5,7H,1-2H3;3-5H,1-2H3;2*1-4H;;;;;/q3*-1;4*-2;+1;2*-1;;;;;+2.
What are the key properties of 2-methyl-5-(3-methylimidazole-1,3-diium-1-yl)-4H-pyrimidin-4-ide;tetrakis(2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
2-methyl-5-(3-methylimidazole-1,3-diium-1-yl)-4H-pyrimidin-4-ide;tetrakis(2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 2990.19 g/mol, XLogP of 14.94, 10 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylimidazole-1,3-diium-1-yl)-4H-pyrimidin-4-ide;tetrakis(2-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyrimidin-4-ide);2-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;platinum;platinum(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidine;4-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 162287736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).