6-[3-[[2-(2,4-dichlorophenyl)-6-phenylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine

C₈₀H₆₁Cl₈F₉N₂₄ — CID 158817769

About 6-[3-[[2-(2,4-dichlorophenyl)-6-phenylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine

6-[3-[[2-(2,4-dichlorophenyl)-6-phenylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine (PubChem CID 158817769) has the molecular formula C₈₀H₆₁Cl₈F₉N₂₄ and a molecular weight of 1813.14 g/mol. Its IUPAC name is 6-[3-[[2-(2,4-dichlorophenyl)-6-phenylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine.

Molecular Properties

• Compound Name: 6-[3-[[2-(2,4-dichlorophenyl)-6-phenylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine
• PubChem CID: 158817769
• Molecular Formula: C₈₀H₆₁Cl₈F₉N₂₄
• Molecular Weight: 1813.14 g/mol
• Exact Mass: 1808.29
• IUPAC Name: 6-[3-[[2-(2,4-dichlorophenyl)-6-phenylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine
• SMILES: FC(F)(F)c1cnc(-c2ccc(Cl)cc2Cl)nc1NCCNc1ccn[nH]1.FC(F)(F)c1cnc(-c2ccc(Cl)cc2Cl)nc1NCCNc1n[nH]c2ccccc12.N#Cc1ccc(NCCCNc2cc(-c3ccccc3)nc(-c3ccc(Cl)cc3Cl)n2)nc1.N#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)ncc2C(F)(F)F)nc1
• InChI: InChI=1S/C25H20Cl2N6.C20H15Cl2F3N6.C19H13Cl2F3N6.C16H13Cl2F3N6/c26-19-8-9-20(21(27)13-19)25-32-22(18-5-2-1-3-6-18)14-24(33-25)30-12-4-11-29-23-10-7-17(15-28)16-31-23;21-11-5-6-12(15(22)9-11)17-28-10-14(20(23,24)25)19(29-17)27-8-7-26-18-13-3-1-2-4-16(13)30-31-18;20-12-2-3-13(15(21)7-12)17-29-10-14(19(22,23)24)18(30-17)27-6-5-26-16-4-1-11(8-25)9-28-16;17-9-1-2-10(12(18)7-9)14-24-8-11(16(19,20)21)15(26-14)23-6-5-22-13-3-4-25-27-13/h1-3,5-10,13-14,16H,4,11-12H2,(H,29,31)(H,30,32,33);1-6,9-10H,7-8H2,(H2,26,30,31)(H,27,28,29);1-4,7,9-10H,5-6H2,(H,26,28)(H,27,29,30);1-4,7-8H,5-6H2,(H2,22,25,27)(H,23,24,26)
• InChIKey: IVMFPJLUEXTCOT-UHFFFAOYSA-N
• XLogP: 22.14
• TPSA: 330.08 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 26
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1813.14
LogP ≤ 5	22.14
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[2-(2,4-dichlorophenyl)-6-phenylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine?

The IUPAC name of 6-[3-[[2-(2,4-dichlorophenyl)-6-phenylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine (CID 158817769) is 6-[3-[[2-(2,4-dichlorophenyl)-6-phenylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine.

What is the SMILES notation for 6-[3-[[2-(2,4-dichlorophenyl)-6-phenylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine?

The canonical SMILES for 6-[3-[[2-(2,4-dichlorophenyl)-6-phenylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine is FC(F)(F)c1cnc(-c2ccc(Cl)cc2Cl)nc1NCCNc1ccn[nH]1.FC(F)(F)c1cnc(-c2ccc(Cl)cc2Cl)nc1NCCNc1n[nH]c2ccccc12.N#Cc1ccc(NCCCNc2cc(-c3ccccc3)nc(-c3ccc(Cl)cc3Cl)n2)nc1.N#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)ncc2C(F)(F)F)nc1.

What is the InChIKey of 6-[3-[[2-(2,4-dichlorophenyl)-6-phenylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine?

The InChIKey is IVMFPJLUEXTCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N6.C20H15Cl2F3N6.C19H13Cl2F3N6.C16H13Cl2F3N6/c26-19-8-9-20(21(27)13-19)25-32-22(18-5-2-1-3-6-18)14-24(33-25)30-12-4-11-29-23-10-7-17(15-28)16-31-23;21-11-5-6-12(15(22)9-11)17-28-10-14(20(23,24)25)19(29-17)27-8-7-26-18-13-3-1-2-4-16(13)30-31-18;20-12-2-3-13(15(21)7-12)17-29-10-14(19(22,23)24)18(30-17)27-6-5-26-16-4-1-11(8-25)9-28-16;17-9-1-2-10(12(18)7-9)14-24-8-11(16(19,20)21)15(26-14)23-6-5-22-13-3-4-25-27-13/h1-3,5-10,13-14,16H,4,11-12H2,(H,29,31)(H,30,32,33);1-6,9-10H,7-8H2,(H2,26,30,31)(H,27,28,29);1-4,7,9-10H,5-6H2,(H,26,28)(H,27,29,30);1-4,7-8H,5-6H2,(H2,22,25,27)(H,23,24,26).

What are the key properties of 6-[3-[[2-(2,4-dichlorophenyl)-6-phenylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine?

6-[3-[[2-(2,4-dichlorophenyl)-6-phenylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine has a molecular weight of 1813.14 g/mol, XLogP of 22.14, 26 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[[2-(2,4-dichlorophenyl)-6-phenylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[2-[[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 158817769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158817769 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.