N-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;N-phenyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum(2+);tetrachloroplatinum

C44H24Cl4F12N18Pt2 — CID 157412974

IUPACN-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;N-phenyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum(2+);tetrachloroplatinum
SMILESCl[Pt](Cl)(Cl)Cl.FC(F)(F)c1cc(-c2ccnc(N(c3ccccc3)c3nccc(-c4cc(C(F)(F)F)[nH]n4)n3)n2)n[nH]1.FC(F)(F)c1cc(-c2ccnc(N(c3ccccc3)c3nccc(-c4cc(C(F)(F)F)n[n-]4)n3)n2)[n-]n1.[Pt+2]
InChIInChI=1S/C22H13F6N9.C22H11F6N9.4ClH.2Pt/c2*23-21(24,25)17-10-15(33-35-17)13-6-8-29-19(31-13)37(12-4-2-1-3-5-12)20-30-9-7-14(32-20)16-11-18(36-34-16)22(26,27)28;;;;;;/h1-11H,(H,33,35)(H,34,36);1-11H;4*1H;;/q;-2;;;;;+2;+4/p-4
InChIKeyBOMUEMGAKACXQG-UHFFFAOYSA-J
MW1564.75 g/mol
LogP13.12
Rot. Bonds10

About N-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;N-phenyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum(2+);tetrachloroplatinum

N-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;N-phenyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum(2+);tetrachloroplatinum (PubChem CID 157412974) has the molecular formula C44H24Cl4F12N18Pt2 and a molecular weight of 1564.75 g/mol. Its IUPAC name is N-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;N-phenyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum(2+);tetrachloroplatinum.

Molecular Properties

Compound NameN-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;N-phenyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum(2+);tetrachloroplatinum
PubChem CID157412974
Molecular FormulaC44H24Cl4F12N18Pt2
Molecular Weight1564.75 g/mol
Exact Mass1562.03
IUPAC NameN-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;N-phenyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum(2+);tetrachloroplatinum
SMILESCl[Pt](Cl)(Cl)Cl.FC(F)(F)c1cc(-c2ccnc(N(c3ccccc3)c3nccc(-c4cc(C(F)(F)F)[nH]n4)n3)n2)n[nH]1.FC(F)(F)c1cc(-c2ccnc(N(c3ccccc3)c3nccc(-c4cc(C(F)(F)F)n[n-]4)n3)n2)[n-]n1.[Pt+2]
InChIInChI=1S/C22H13F6N9.C22H11F6N9.4ClH.2Pt/c2*23-21(24,25)17-10-15(33-35-17)13-6-8-29-19(31-13)37(12-4-2-1-3-5-12)20-30-9-7-14(32-20)16-11-18(36-34-16)22(26,27)28;;;;;;/h1-11H,(H,33,35)(H,34,36);1-11H;4*1H;;/q;-2;;;;;+2;+4/p-4
InChIKeyBOMUEMGAKACXQG-UHFFFAOYSA-J
XLogP13.12
TPSA220.94 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001564.75
LogP ≤ 513.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;N-phenyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum(2+);tetrachloroplatinum?
The IUPAC name of N-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;N-phenyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum(2+);tetrachloroplatinum (CID 157412974) is N-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;N-phenyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum(2+);tetrachloroplatinum.
What is the SMILES notation for N-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;N-phenyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum(2+);tetrachloroplatinum?
The canonical SMILES for N-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;N-phenyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum(2+);tetrachloroplatinum is Cl[Pt](Cl)(Cl)Cl.FC(F)(F)c1cc(-c2ccnc(N(c3ccccc3)c3nccc(-c4cc(C(F)(F)F)[nH]n4)n3)n2)n[nH]1.FC(F)(F)c1cc(-c2ccnc(N(c3ccccc3)c3nccc(-c4cc(C(F)(F)F)n[n-]4)n3)n2)[n-]n1.[Pt+2].
What is the InChIKey of N-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;N-phenyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum(2+);tetrachloroplatinum?
The InChIKey is BOMUEMGAKACXQG-UHFFFAOYSA-J. The full InChI is InChI=1S/C22H13F6N9.C22H11F6N9.4ClH.2Pt/c2*23-21(24,25)17-10-15(33-35-17)13-6-8-29-19(31-13)37(12-4-2-1-3-5-12)20-30-9-7-14(32-20)16-11-18(36-34-16)22(26,27)28;;;;;;/h1-11H,(H,33,35)(H,34,36);1-11H;4*1H;;/q;-2;;;;;+2;+4/p-4.
What are the key properties of N-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;N-phenyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum(2+);tetrachloroplatinum?
N-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;N-phenyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum(2+);tetrachloroplatinum has a molecular weight of 1564.75 g/mol, XLogP of 13.12, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-N-[4-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrimidin-2-yl]pyrimidin-2-amine;N-phenyl-4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidin-2-yl]pyrimidin-2-amine;platinum(2+);tetrachloroplatinum is sourced from PubChem (CID 157412974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).