tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide;tetrakis(platinum(2+));bis(5-pyridin-2-yl-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide

C86H49F27N24Pt4 — CID 162185709

IUPACtetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide;tetrakis(platinum(2+));bis(5-pyridin-2-yl-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide
SMILESCc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1n[c-]c(-c2cc(C(F)(F)F)ccn2)cn1.FC(F)(F)c1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.FC(F)(F)c1n[c-]c(-c2ccccn2)cn1.FC(F)(F)c1n[c-]c(-c2ccccn2)cn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C11H4F6N3.5C11H7F3N3.2C10H5F3N3.4Pt/c12-10(13,14)7-1-2-18-8(3-7)6-4-19-9(20-5-6)11(15,16)17;1-7-16-5-8(6-17-7)10-4-9(2-3-15-10)11(12,13)14;4*1-7-2-3-15-9(4-7)8-5-16-10(17-6-8)11(12,13)14;2*11-10(12,13)9-15-5-7(6-16-9)8-3-1-2-4-14-8;;;;/h1-4H;5*2-5H,1H3;2*1-5H;;;;/q8*-1;4*+2
InChIKeyNEFVEICVBOUWOU-UHFFFAOYSA-N
MW2711.76 g/mol
LogP21.41
Rot. Bonds8

About tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide;tetrakis(platinum(2+));bis(5-pyridin-2-yl-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide

tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide;tetrakis(platinum(2+));bis(5-pyridin-2-yl-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide (PubChem CID 162185709) has the molecular formula C86H49F27N24Pt4 and a molecular weight of 2711.76 g/mol. Its IUPAC name is tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide;tetrakis(platinum(2+));bis(5-pyridin-2-yl-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide.

Molecular Properties

Compound Nametetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide;tetrakis(platinum(2+));bis(5-pyridin-2-yl-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide
PubChem CID162185709
Molecular FormulaC86H49F27N24Pt4
Molecular Weight2711.76 g/mol
Exact Mass2710.27
IUPAC Nametetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide;tetrakis(platinum(2+));bis(5-pyridin-2-yl-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide
SMILESCc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1n[c-]c(-c2cc(C(F)(F)F)ccn2)cn1.FC(F)(F)c1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.FC(F)(F)c1n[c-]c(-c2ccccn2)cn1.FC(F)(F)c1n[c-]c(-c2ccccn2)cn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C11H4F6N3.5C11H7F3N3.2C10H5F3N3.4Pt/c12-10(13,14)7-1-2-18-8(3-7)6-4-19-9(20-5-6)11(15,16)17;1-7-16-5-8(6-17-7)10-4-9(2-3-15-10)11(12,13)14;4*1-7-2-3-15-9(4-7)8-5-16-10(17-6-8)11(12,13)14;2*11-10(12,13)9-15-5-7(6-16-9)8-3-1-2-4-14-8;;;;/h1-4H;5*2-5H,1H3;2*1-5H;;;;/q8*-1;4*+2
InChIKeyNEFVEICVBOUWOU-UHFFFAOYSA-N
XLogP21.41
TPSA309.36 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds8
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002711.76
LogP ≤ 521.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide;tetrakis(platinum(2+));bis(5-pyridin-2-yl-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide with MolForge

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Related Compounds

4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
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Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
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Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
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Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
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Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
4-Methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5494444
[Ir(dF[CF3]ppy)2(dtbbpy)]PF6
CID 60160592
Benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))
CID 139132391
Gross107 (Sudhakar)
CID 139174614
bis(1-[5-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]-N,N-bis[[5-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]methyl]methanamine);hexane;decakis(pyridine);bis(uranium(4+))
CID 168337712

Frequently Asked Questions

What is the IUPAC name of tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide;tetrakis(platinum(2+));bis(5-pyridin-2-yl-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide?
The IUPAC name of tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide;tetrakis(platinum(2+));bis(5-pyridin-2-yl-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide (CID 162185709) is tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide;tetrakis(platinum(2+));bis(5-pyridin-2-yl-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide.
What is the SMILES notation for tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide;tetrakis(platinum(2+));bis(5-pyridin-2-yl-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide?
The canonical SMILES for tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide;tetrakis(platinum(2+));bis(5-pyridin-2-yl-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide is Cc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.Cc1n[c-]c(-c2cc(C(F)(F)F)ccn2)cn1.FC(F)(F)c1ccnc(-c2[c-]nc(C(F)(F)F)nc2)c1.FC(F)(F)c1n[c-]c(-c2ccccn2)cn1.FC(F)(F)c1n[c-]c(-c2ccccn2)cn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide;tetrakis(platinum(2+));bis(5-pyridin-2-yl-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide?
The InChIKey is NEFVEICVBOUWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F6N3.5C11H7F3N3.2C10H5F3N3.4Pt/c12-10(13,14)7-1-2-18-8(3-7)6-4-19-9(20-5-6)11(15,16)17;1-7-16-5-8(6-17-7)10-4-9(2-3-15-10)11(12,13)14;4*1-7-2-3-15-9(4-7)8-5-16-10(17-6-8)11(12,13)14;2*11-10(12,13)9-15-5-7(6-16-9)8-3-1-2-4-14-8;;;;/h1-4H;5*2-5H,1H3;2*1-5H;;;;/q8*-1;4*+2.
What are the key properties of tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide;tetrakis(platinum(2+));bis(5-pyridin-2-yl-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide?
tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide;tetrakis(platinum(2+));bis(5-pyridin-2-yl-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide has a molecular weight of 2711.76 g/mol, XLogP of 21.41, 8 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(5-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide;tetrakis(platinum(2+));bis(5-pyridin-2-yl-2-(trifluoromethyl)-4H-pyrimidin-4-ide);2-(trifluoromethyl)-5-[4-(trifluoromethyl)-2-pyridinyl]-4H-pyrimidin-4-ide is sourced from PubChem (CID 162185709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).