6-[3-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;N-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N'-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine

C81H79Cl6F3N24 — CID 159901144

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

6-[3-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;N-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N'-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine (PubChem CID 159901144) has the molecular formula C81H79Cl6F3N24 and a molecular weight of 1658.40 g/mol. Its IUPAC name is 6-[3-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;N-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N'-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine.

Molecular Properties

• Compound Name: 6-[3-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;N-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N'-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine
• PubChem CID: 159901144
• Molecular Formula: C81H79Cl6F3N24
• Molecular Weight: 1658.40 g/mol
• Exact Mass: 1654.50
• IUPAC Name: 6-[3-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;N-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N'-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine
• SMILES: Cc1nc(-c2ccc(C(F)(F)F)cc2Cl)nc(NCCCNc2ccc(C#N)cn2)c1C.Cc1nc(-c2ccc(Cl)cc2Cl)nc(NCCNc2ccn[nH]2)c1C.Cc1nc(-c2ccc(Cl)cc2Cl)nc(NCCNc2n[nH]c3ccccc23)c1C.Cc1nc(-c2ccccc2Cl)nc(NCCCNc2ccc(C#N)cn2)c1C
• InChI: InChI=1S/C22H20ClF3N6.C21H20Cl2N6.C21H21ClN6.C17H18Cl2N6/c1-13-14(2)31-21(17-6-5-16(10-18(17)23)22(24,25)26)32-20(13)29-9-3-8-28-19-7-4-15(11-27)12-30-19;1-12-13(2)26-21(15-8-7-14(22)11-17(15)23)27-19(12)24-9-10-25-20-16-5-3-4-6-18(16)28-29-20;1-14-15(2)27-21(17-6-3-4-7-18(17)22)28-20(14)25-11-5-10-24-19-9-8-16(12-23)13-26-19;1-10-11(2)23-17(13-4-3-12(18)9-14(13)19)24-16(10)21-8-7-20-15-5-6-22-25-15/h4-7,10,12H,3,8-9H2,1-2H3,(H,28,30)(H,29,31,32);3-8,11H,9-10H2,1-2H3,(H,24,26,27)(H2,25,28,29);3-4,6-9,13H,5,10-11H2,1-2H3,(H,24,26)(H,25,27,28);3-6,9H,7-8H2,1-2H3,(H2,20,22,25)(H,21,23,24)
• InChIKey: NVYXRZLRPPLWSO-UHFFFAOYSA-N
• XLogP: 19.99
• TPSA: 330.08 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 26
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1658.40
LogP ≤ 5	19.99
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-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;N-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N'-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine?

The IUPAC name of 6-[3-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;N-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N'-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine (CID 159901144) is 6-[3-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;N-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N'-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine.

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

The canonical SMILES for 6-[3-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;N-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N'-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine is Cc1nc(-c2ccc(C(F)(F)F)cc2Cl)nc(NCCCNc2ccc(C#N)cn2)c1C.Cc1nc(-c2ccc(Cl)cc2Cl)nc(NCCNc2ccn[nH]2)c1C.Cc1nc(-c2ccc(Cl)cc2Cl)nc(NCCNc2n[nH]c3ccccc23)c1C.Cc1nc(-c2ccccc2Cl)nc(NCCCNc2ccc(C#N)cn2)c1C.

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

The InChIKey is NVYXRZLRPPLWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N6.C21H20Cl2N6.C21H21ClN6.C17H18Cl2N6/c1-13-14(2)31-21(17-6-5-16(10-18(17)23)22(24,25)26)32-20(13)29-9-3-8-28-19-7-4-15(11-27)12-30-19;1-12-13(2)26-21(15-8-7-14(22)11-17(15)23)27-19(12)24-9-10-25-20-16-5-3-4-6-18(16)28-29-20;1-14-15(2)27-21(17-6-3-4-7-18(17)22)28-20(14)25-11-5-10-24-19-9-8-16(12-23)13-26-19;1-10-11(2)23-17(13-4-3-12(18)9-14(13)19)24-16(10)21-8-7-20-15-5-6-22-25-15/h4-7,10,12H,3,8-9H2,1-2H3,(H,28,30)(H,29,31,32);3-8,11H,9-10H2,1-2H3,(H,24,26,27)(H2,25,28,29);3-4,6-9,13H,5,10-11H2,1-2H3,(H,24,26)(H,25,27,28);3-6,9H,7-8H2,1-2H3,(H2,20,22,25)(H,21,23,24).

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

6-[3-[[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;N-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N'-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine has a molecular weight of 1658.40 g/mol, XLogP of 19.99, 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-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;6-[3-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-5,6-dimethylpyrimidin-4-yl]amino]propylamino]pyridine-3-carbonitrile;N-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N'-(1H-indazol-3-yl)ethane-1,2-diamine;N'-[2-(2,4-dichlorophenyl)-5,6-dimethylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 159901144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).