4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-cyclopenta[d]pyrimidin-2-amine;6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-purin-2-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-3H-pyrazolo[3,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-pyrrolo[3,4-d]pyrimidin-2-amine

C128H113N27O5 — CID 157216234

About 4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-cyclopenta[d]pyrimidin-2-amine;6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-purin-2-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-3H-pyrazolo[3,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-pyrrolo[3,4-d]pyrimidin-2-amine

4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-cyclopenta[d]pyrimidin-2-amine;6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-purin-2-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-3H-pyrazolo[3,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-pyrrolo[3,4-d]pyrimidin-2-amine (PubChem CID 157216234) has the molecular formula C128H113N27O5 and a molecular weight of 2109.50 g/mol. Its IUPAC name is 4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-cyclopenta[d]pyrimidin-2-amine;6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-purin-2-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-3H-pyrazolo[3,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-pyrrolo[3,4-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-cyclopenta[d]pyrimidin-2-amine;6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-purin-2-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-3H-pyrazolo[3,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-pyrrolo[3,4-d]pyrimidin-2-amine
• PubChem CID: 157216234
• Molecular Formula: C128H113N27O5
• Molecular Weight: 2109.50 g/mol
• Exact Mass: 2107.94
• IUPAC Name: 4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-cyclopenta[d]pyrimidin-2-amine;6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-purin-2-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-3H-pyrazolo[3,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-pyrrolo[3,4-d]pyrimidin-2-amine
• SMILES: Cc1ccc(Nc2nc(Oc3c(C)cc(-c4ccncc4)cc3C)c3[nH]cnc3n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4ccncc4)cc3C)c3cn[nH]c3n2)cc1.Cc1ccc(Nc2nc3c(c(Oc4c(C)cc(-c5ccncc5)cc4C)n2)CC=C3)cc1.Cc1ccc(Nc2nc3c(c(Oc4c(C)cc(-c5ccncc5)cc4C)n2)CN=C3)cc1.Cc1ccc(Nc2nc3c(c(Oc4c(C)cc(-c5ccncc5)cc4C)n2)CN=N3)cc1
• InChI: InChI=1S/C27H24N4O.C26H23N5O.3C25H22N6O/c1-17-7-9-22(10-8-17)29-27-30-24-6-4-5-23(24)26(31-27)32-25-18(2)15-21(16-19(25)3)20-11-13-28-14-12-20;1-16-4-6-21(7-5-16)29-26-30-23-15-28-14-22(23)25(31-26)32-24-17(2)12-20(13-18(24)3)19-8-10-27-11-9-19;1-15-4-6-20(7-5-15)29-25-30-23-21(27-14-28-23)24(31-25)32-22-16(2)12-19(13-17(22)3)18-8-10-26-11-9-18;2*1-15-4-6-20(7-5-15)28-25-29-23-21(14-27-31-23)24(30-25)32-22-16(2)12-19(13-17(22)3)18-8-10-26-11-9-18/h4,6-16H,5H2,1-3H3,(H,29,30,31);4-13,15H,14H2,1-3H3,(H,29,30,31);4-14H,1-3H3,(H2,27,28,29,30,31);4-13H,14H2,1-3H3,(H,28,29,30);4-14H,1-3H3,(H2,27,28,29,30,31)
• InChIKey: ASLGYBPBAOEOPV-UHFFFAOYSA-N
• XLogP: 30.85
• TPSA: 394.09 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2109.50
LogP ≤ 5	30.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-cyclopenta[d]pyrimidin-2-amine;6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-purin-2-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-3H-pyrazolo[3,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-pyrrolo[3,4-d]pyrimidin-2-amine?

The IUPAC name of 4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-cyclopenta[d]pyrimidin-2-amine;6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-purin-2-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-3H-pyrazolo[3,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-pyrrolo[3,4-d]pyrimidin-2-amine (CID 157216234) is 4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-cyclopenta[d]pyrimidin-2-amine;6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-purin-2-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-3H-pyrazolo[3,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-pyrrolo[3,4-d]pyrimidin-2-amine.

What is the SMILES notation for 4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-cyclopenta[d]pyrimidin-2-amine;6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-purin-2-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-3H-pyrazolo[3,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-pyrrolo[3,4-d]pyrimidin-2-amine?

The canonical SMILES for 4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-cyclopenta[d]pyrimidin-2-amine;6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-purin-2-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-3H-pyrazolo[3,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-pyrrolo[3,4-d]pyrimidin-2-amine is Cc1ccc(Nc2nc(Oc3c(C)cc(-c4ccncc4)cc3C)c3[nH]cnc3n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4ccncc4)cc3C)c3cn[nH]c3n2)cc1.Cc1ccc(Nc2nc3c(c(Oc4c(C)cc(-c5ccncc5)cc4C)n2)CC=C3)cc1.Cc1ccc(Nc2nc3c(c(Oc4c(C)cc(-c5ccncc5)cc4C)n2)CN=C3)cc1.Cc1ccc(Nc2nc3c(c(Oc4c(C)cc(-c5ccncc5)cc4C)n2)CN=N3)cc1.

What is the InChIKey of 4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-cyclopenta[d]pyrimidin-2-amine;6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-purin-2-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-3H-pyrazolo[3,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-pyrrolo[3,4-d]pyrimidin-2-amine?

The InChIKey is ASLGYBPBAOEOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O.C26H23N5O.3C25H22N6O/c1-17-7-9-22(10-8-17)29-27-30-24-6-4-5-23(24)26(31-27)32-25-18(2)15-21(16-19(25)3)20-11-13-28-14-12-20;1-16-4-6-21(7-5-16)29-26-30-23-15-28-14-22(23)25(31-26)32-24-17(2)12-20(13-18(24)3)19-8-10-27-11-9-19;1-15-4-6-20(7-5-15)29-25-30-23-21(27-14-28-23)24(31-25)32-22-16(2)12-19(13-17(22)3)18-8-10-26-11-9-18;2*1-15-4-6-20(7-5-15)28-25-29-23-21(14-27-31-23)24(30-25)32-22-16(2)12-19(13-17(22)3)18-8-10-26-11-9-18/h4,6-16H,5H2,1-3H3,(H,29,30,31);4-13,15H,14H2,1-3H3,(H,29,30,31);4-14H,1-3H3,(H2,27,28,29,30,31);4-13H,14H2,1-3H3,(H,28,29,30);4-14H,1-3H3,(H2,27,28,29,30,31).

What are the key properties of 4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-cyclopenta[d]pyrimidin-2-amine;6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-purin-2-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-3H-pyrazolo[3,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-pyrrolo[3,4-d]pyrimidin-2-amine?

4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-cyclopenta[d]pyrimidin-2-amine;6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-purin-2-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-3H-pyrazolo[3,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-pyrrolo[3,4-d]pyrimidin-2-amine has a molecular weight of 2109.50 g/mol, XLogP of 30.85, 25 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-cyclopenta[d]pyrimidin-2-amine;6-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-purin-2-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-3H-pyrazolo[3,4-d]pyrimidin-6-amine;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-5H-pyrrolo[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 157216234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).