6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dimethylphenyl)quinazolin-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-[[2-(2,3,4-trimethylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile

C90H83Cl2F3N24 — CID 158802476

About 6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dimethylphenyl)quinazolin-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-[[2-(2,3,4-trimethylphenyl)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-[[2-(2,4-dimethylphenyl)quinazolin-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-[[2-(2,3,4-trimethylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile (PubChem CID 158802476) has the molecular formula C90H83Cl2F3N24 and a molecular weight of 1628.72 g/mol. Its IUPAC name is 6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dimethylphenyl)quinazolin-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-[[2-(2,3,4-trimethylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dimethylphenyl)quinazolin-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-[[2-(2,3,4-trimethylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
• PubChem CID: 158802476
• Molecular Formula: C90H83Cl2F3N24
• Molecular Weight: 1628.72 g/mol
• Exact Mass: 1626.66
• IUPAC Name: 6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dimethylphenyl)quinazolin-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-[[2-(2,3,4-trimethylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
• SMILES: Cc1ccc(-c2nc(NCCNc3ccc(C#N)cn3)c3ccccc3n2)c(C)c1.Cc1ccc(-c2nc(NCCNc3ccc(C#N)cn3)c3ccccc3n2)c(C)c1C.Cc1nc(-c2ccc(Cl)cc2Cl)nc(NCCNc2ccc(C#N)cn2)c1C.Cc1nc(-c2ccccc2C(F)(F)F)nc(NCCNc2ccc(C#N)cn2)c1C
• InChI: InChI=1S/C25H24N6.C24H22N6.C21H19F3N6.C20H18Cl2N6/c1-16-8-10-20(18(3)17(16)2)25-30-22-7-5-4-6-21(22)24(31-25)28-13-12-27-23-11-9-19(14-26)15-29-23;1-16-7-9-19(17(2)13-16)24-29-21-6-4-3-5-20(21)23(30-24)27-12-11-26-22-10-8-18(14-25)15-28-22;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/h4-11,15H,12-13H2,1-3H3,(H,27,29)(H,28,30,31);3-10,13,15H,11-12H2,1-2H3,(H,26,28)(H,27,29,30);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)
• InChIKey: ITQXBGZPABBZIN-UHFFFAOYSA-N
• XLogP: 19.14
• TPSA: 346.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1628.72
LogP ≤ 5	19.14
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-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dimethylphenyl)quinazolin-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-[[2-(2,3,4-trimethylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?

The IUPAC name of 6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dimethylphenyl)quinazolin-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-[[2-(2,3,4-trimethylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile (CID 158802476) is 6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dimethylphenyl)quinazolin-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-[[2-(2,3,4-trimethylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dimethylphenyl)quinazolin-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-[[2-(2,3,4-trimethylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?

The canonical SMILES for 6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dimethylphenyl)quinazolin-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-[[2-(2,3,4-trimethylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile is Cc1ccc(-c2nc(NCCNc3ccc(C#N)cn3)c3ccccc3n2)c(C)c1.Cc1ccc(-c2nc(NCCNc3ccc(C#N)cn3)c3ccccc3n2)c(C)c1C.Cc1nc(-c2ccc(Cl)cc2Cl)nc(NCCNc2ccc(C#N)cn2)c1C.Cc1nc(-c2ccccc2C(F)(F)F)nc(NCCNc2ccc(C#N)cn2)c1C.

What is the InChIKey of 6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dimethylphenyl)quinazolin-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-[[2-(2,3,4-trimethylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?

The InChIKey is ITQXBGZPABBZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6.C24H22N6.C21H19F3N6.C20H18Cl2N6/c1-16-8-10-20(18(3)17(16)2)25-30-22-7-5-4-6-21(22)24(31-25)28-13-12-27-23-11-9-19(14-26)15-29-23;1-16-7-9-19(17(2)13-16)24-29-21-6-4-3-5-20(21)23(30-24)27-12-11-26-22-10-8-18(14-25)15-28-22;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/h4-11,15H,12-13H2,1-3H3,(H,27,29)(H,28,30,31);3-10,13,15H,11-12H2,1-2H3,(H,26,28)(H,27,29,30);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).

What are the key properties of 6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dimethylphenyl)quinazolin-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-[[2-(2,3,4-trimethylphenyl)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-[[2-(2,4-dimethylphenyl)quinazolin-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-[[2-(2,3,4-trimethylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile has a molecular weight of 1628.72 g/mol, XLogP of 19.14, 24 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dimethylphenyl)quinazolin-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-[[2-(2,3,4-trimethylphenyl)quinazolin-4-yl]amino]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 158802476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).