5-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile

C79H70Cl6F3N25 — CID 158381356

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

5-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile (PubChem CID 158381356) has the molecular formula C79H70Cl6F3N25 and a molecular weight of 1639.32 g/mol. Its IUPAC name is 5-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile
• PubChem CID: 158381356
• Molecular Formula: C79H70Cl6F3N25
• Molecular Weight: 1639.32 g/mol
• Exact Mass: 1635.43
• IUPAC Name: 5-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine;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.Clc1ccc(-c2ncc(C3CC3)c(NCCNc3ccn[nH]3)n2)c(Cl)c1.N#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)ncc2C2CC2)nc1.N#Cc1cnc(NCCNc2nc(-c3ccc(Cl)cc3Cl)ncc2C2CC2)cn1
• InChI: InChI=1S/C21H18Cl2N6.C20H17Cl2N7.C20H17F3N6.C18H18Cl2N6/c22-15-4-5-16(18(23)9-15)20-28-12-17(14-2-3-14)21(29-20)26-8-7-25-19-6-1-13(10-24)11-27-19;21-13-3-4-15(17(22)7-13)19-28-10-16(12-1-2-12)20(29-19)25-6-5-24-18-11-26-14(8-23)9-27-18;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;19-12-3-4-13(15(20)9-12)17-23-10-14(11-1-2-11)18(25-17)22-8-7-21-16-5-6-24-26-16/h1,4-6,9,11-12,14H,2-3,7-8H2,(H,25,27)(H,26,28,29);3-4,7,9-12H,1-2,5-6H2,(H,24,27)(H,25,28,29);2-7,10,12H,8-9H2,1H3,(H,25,27)(H,26,28,29);3-6,9-11H,1-2,7-8H2,(H2,21,24,26)(H,22,23,25)
• InChIKey: GVVFBWXZSMTMGT-UHFFFAOYSA-N
• XLogP: 18.47
• TPSA: 350.97 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1639.32
LogP ≤ 5	18.47
H-Bond Donors ≤ 5	9
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 5-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile?

The IUPAC name of 5-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile (CID 158381356) is 5-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile.

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

The canonical SMILES for 5-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine;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.Clc1ccc(-c2ncc(C3CC3)c(NCCNc3ccn[nH]3)n2)c(Cl)c1.N#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)ncc2C2CC2)nc1.N#Cc1cnc(NCCNc2nc(-c3ccc(Cl)cc3Cl)ncc2C2CC2)cn1.

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

The InChIKey is GVVFBWXZSMTMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N6.C20H17Cl2N7.C20H17F3N6.C18H18Cl2N6/c22-15-4-5-16(18(23)9-15)20-28-12-17(14-2-3-14)21(29-20)26-8-7-25-19-6-1-13(10-24)11-27-19;21-13-3-4-15(17(22)7-13)19-28-10-16(12-1-2-12)20(29-19)25-6-5-24-18-11-26-14(8-23)9-27-18;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;19-12-3-4-13(15(20)9-12)17-23-10-14(11-1-2-11)18(25-17)22-8-7-21-16-5-6-24-26-16/h1,4-6,9,11-12,14H,2-3,7-8H2,(H,25,27)(H,26,28,29);3-4,7,9-12H,1-2,5-6H2,(H,24,27)(H,25,28,29);2-7,10,12H,8-9H2,1H3,(H,25,27)(H,26,28,29);3-6,9-11H,1-2,7-8H2,(H2,21,24,26)(H,22,23,25).

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

5-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile has a molecular weight of 1639.32 g/mol, XLogP of 18.47, 27 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyrazine-2-carbonitrile;6-[2-[[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile;N'-[5-cyclopropyl-2-(2,4-dichlorophenyl)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)ethane-1,2-diamine;6-[2-[[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 158381356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).