6-[2-[[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;N-[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]-N'-pyrazin-2-ylethane-1,2-diamine

C73H65Cl6N25 — CID 158241400

About 6-[2-[[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;N-[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]-N'-pyrazin-2-ylethane-1,2-diamine

6-[2-[[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;N-[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]-N'-pyrazin-2-ylethane-1,2-diamine (PubChem CID 158241400) has the molecular formula C73H65Cl6N25 and a molecular weight of 1505.22 g/mol. Its IUPAC name is 6-[2-[[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;N-[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]-N'-pyrazin-2-ylethane-1,2-diamine.

Molecular Properties

• Compound Name: 6-[2-[[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;N-[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]-N'-pyrazin-2-ylethane-1,2-diamine
• PubChem CID: 158241400
• Molecular Formula: C73H65Cl6N25
• Molecular Weight: 1505.22 g/mol
• Exact Mass: 1501.40
• IUPAC Name: 6-[2-[[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;N-[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]-N'-pyrazin-2-ylethane-1,2-diamine
• SMILES: Cc1cc(NCCNc2ccc(C#N)cn2)nc(-c2ccc(Cl)cc2)n1.Cc1cc(NCCNc2cnc(C#N)cn2)nc(-c2ccc(Cl)cc2Cl)n1.Cc1cc(NCCNc2cnccn2)nc(-c2ccc(Cl)cc2Cl)n1.Cc1cnc(-c2ccc(Cl)cc2)nc1NCCNc1ccc(C#N)cn1
• InChI: InChI=1S/2C19H17ClN6.C18H15Cl2N7.C17H16Cl2N6/c1-13-11-25-19(15-3-5-16(20)6-4-15)26-18(13)23-9-8-22-17-7-2-14(10-21)12-24-17;1-13-10-18(26-19(25-13)15-3-5-16(20)6-4-15)23-9-8-22-17-7-2-14(11-21)12-24-17;1-11-6-16(22-4-5-23-17-10-24-13(8-21)9-25-17)27-18(26-11)14-3-2-12(19)7-15(14)20;1-11-8-15(21-6-7-23-16-10-20-4-5-22-16)25-17(24-11)13-3-2-12(18)9-14(13)19/h2-7,11-12H,8-9H2,1H3,(H,22,24)(H,23,25,26);2-7,10,12H,8-9H2,1H3,(H,22,24)(H,23,25,26);2-3,6-7,9-10H,4-5H2,1H3,(H,23,25)(H,22,26,27);2-5,8-10H,6-7H2,1H3,(H,22,23)(H,21,24,25)
• InChIKey: GFOUWPUFEYSITD-UHFFFAOYSA-N
• XLogP: 15.81
• TPSA: 348.07 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1505.22
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

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-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;N-[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]-N'-pyrazin-2-ylethane-1,2-diamine?

The IUPAC name of 6-[2-[[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;N-[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]-N'-pyrazin-2-ylethane-1,2-diamine (CID 158241400) is 6-[2-[[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;N-[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]-N'-pyrazin-2-ylethane-1,2-diamine.

What is the SMILES notation for 6-[2-[[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;N-[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]-N'-pyrazin-2-ylethane-1,2-diamine?

The canonical SMILES for 6-[2-[[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;N-[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]-N'-pyrazin-2-ylethane-1,2-diamine is Cc1cc(NCCNc2ccc(C#N)cn2)nc(-c2ccc(Cl)cc2)n1.Cc1cc(NCCNc2cnc(C#N)cn2)nc(-c2ccc(Cl)cc2Cl)n1.Cc1cc(NCCNc2cnccn2)nc(-c2ccc(Cl)cc2Cl)n1.Cc1cnc(-c2ccc(Cl)cc2)nc1NCCNc1ccc(C#N)cn1.

What is the InChIKey of 6-[2-[[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;N-[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]-N'-pyrazin-2-ylethane-1,2-diamine?

The InChIKey is GFOUWPUFEYSITD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H17ClN6.C18H15Cl2N7.C17H16Cl2N6/c1-13-11-25-19(15-3-5-16(20)6-4-15)26-18(13)23-9-8-22-17-7-2-14(10-21)12-24-17;1-13-10-18(26-19(25-13)15-3-5-16(20)6-4-15)23-9-8-22-17-7-2-14(11-21)12-24-17;1-11-6-16(22-4-5-23-17-10-24-13(8-21)9-25-17)27-18(26-11)14-3-2-12(19)7-15(14)20;1-11-8-15(21-6-7-23-16-10-20-4-5-22-16)25-17(24-11)13-3-2-12(18)9-14(13)19/h2-7,11-12H,8-9H2,1H3,(H,22,24)(H,23,25,26);2-7,10,12H,8-9H2,1H3,(H,22,24)(H,23,25,26);2-3,6-7,9-10H,4-5H2,1H3,(H,23,25)(H,22,26,27);2-5,8-10H,6-7H2,1H3,(H,22,23)(H,21,24,25).

What are the key properties of 6-[2-[[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;N-[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]-N'-pyrazin-2-ylethane-1,2-diamine?

6-[2-[[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;N-[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]-N'-pyrazin-2-ylethane-1,2-diamine has a molecular weight of 1505.22 g/mol, XLogP of 15.81, 24 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[2-(4-chlorophenyl)-5-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;6-[2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;5-[2-[[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;N-[2-(2,4-dichlorophenyl)-6-methylpyrimidin-4-yl]-N'-pyrazin-2-ylethane-1,2-diamine is sourced from PubChem (CID 158241400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).