6-[2-[[2-(5-chloro-2-phenylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile

C89H75Cl3F6N24 — CID 158808850

About 6-[2-[[2-(5-chloro-2-phenylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile

6-[2-[[2-(5-chloro-2-phenylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile (PubChem CID 158808850) has the molecular formula C89H75Cl3F6N24 and a molecular weight of 1701.09 g/mol. Its IUPAC name is 6-[2-[[2-(5-chloro-2-phenylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[2-[[2-(5-chloro-2-phenylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
• PubChem CID: 158808850
• Molecular Formula: C89H75Cl3F6N24
• Molecular Weight: 1701.09 g/mol
• Exact Mass: 1698.56
• IUPAC Name: 6-[2-[[2-(5-chloro-2-phenylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
• SMILES: Cc1cc(NCCNc2ccc(C#N)cn2)nc(-c2ccccc2C(F)(F)F)n1.Cc1nc(-c2ccc(Cl)cc2Cl)nc(NCCNc2ccc(C#N)cn2)c1C.Cc1nc(-c2ccccc2C(F)(F)F)nc(NCCNc2ccc(C#N)cn2)c1C.N#Cc1ccc(NCCNc2nc(-c3cc(Cl)ccc3-c3ccccc3)nc3ccccc23)nc1
• InChI: InChI=1S/C28H21ClN6.C21H19F3N6.C20H18Cl2N6.C20H17F3N6/c29-21-11-12-22(20-6-2-1-3-7-20)24(16-21)28-34-25-9-5-4-8-23(25)27(35-28)32-15-14-31-26-13-10-19(17-30)18-33-26;1-13-14(2)29-20(16-5-3-4-6-17(16)21(22,23)24)30-19(13)27-10-9-26-18-8-7-15(11-25)12-28-18;1-12-13(2)27-20(16-5-4-15(21)9-17(16)22)28-19(12)25-8-7-24-18-6-3-14(10-23)11-26-18;1-13-10-18(26-9-8-25-17-7-6-14(11-24)12-27-17)29-19(28-13)15-4-2-3-5-16(15)20(21,22)23/h1-13,16,18H,14-15H2,(H,31,33)(H,32,34,35);3-8,12H,9-10H2,1-2H3,(H,26,28)(H,27,29,30);3-6,9,11H,7-8H2,1-2H3,(H,24,26)(H,25,27,28);2-7,10,12H,8-9H2,1H3,(H,25,27)(H,26,28,29)
• InChIKey: IUKOMDWFVCVZNO-UHFFFAOYSA-N
• XLogP: 20.10
• TPSA: 346.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1701.09
LogP ≤ 5	20.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-(5-chloro-2-phenylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?

The IUPAC name of 6-[2-[[2-(5-chloro-2-phenylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile (CID 158808850) is 6-[2-[[2-(5-chloro-2-phenylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[2-[[2-(5-chloro-2-phenylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?

The canonical SMILES for 6-[2-[[2-(5-chloro-2-phenylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile is Cc1cc(NCCNc2ccc(C#N)cn2)nc(-c2ccccc2C(F)(F)F)n1.Cc1nc(-c2ccc(Cl)cc2Cl)nc(NCCNc2ccc(C#N)cn2)c1C.Cc1nc(-c2ccccc2C(F)(F)F)nc(NCCNc2ccc(C#N)cn2)c1C.N#Cc1ccc(NCCNc2nc(-c3cc(Cl)ccc3-c3ccccc3)nc3ccccc23)nc1.

What is the InChIKey of 6-[2-[[2-(5-chloro-2-phenylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?

The InChIKey is IUKOMDWFVCVZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN6.C21H19F3N6.C20H18Cl2N6.C20H17F3N6/c29-21-11-12-22(20-6-2-1-3-7-20)24(16-21)28-34-25-9-5-4-8-23(25)27(35-28)32-15-14-31-26-13-10-19(17-30)18-33-26;1-13-14(2)29-20(16-5-3-4-6-17(16)21(22,23)24)30-19(13)27-10-9-26-18-8-7-15(11-25)12-28-18;1-12-13(2)27-20(16-5-4-15(21)9-17(16)22)28-19(12)25-8-7-24-18-6-3-14(10-23)11-26-18;1-13-10-18(26-9-8-25-17-7-6-14(11-24)12-27-17)29-19(28-13)15-4-2-3-5-16(15)20(21,22)23/h1-13,16,18H,14-15H2,(H,31,33)(H,32,34,35);3-8,12H,9-10H2,1-2H3,(H,26,28)(H,27,29,30);3-6,9,11H,7-8H2,1-2H3,(H,24,26)(H,25,27,28);2-7,10,12H,8-9H2,1H3,(H,25,27)(H,26,28,29).

What are the key properties of 6-[2-[[2-(5-chloro-2-phenylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?

6-[2-[[2-(5-chloro-2-phenylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile has a molecular weight of 1701.09 g/mol, XLogP of 20.10, 25 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[2-(5-chloro-2-phenylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 158808850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).