7-chloro-4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;2-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]benzonitrile;3-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]pyridine-2-carbonitrile;4-[[4-[4-(4,6-dimethyl-3-pyridinyl)-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[2,6-dimethyl-4-(1,3,5-trimethylpyrazol-4-yl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile

C141H126ClN29O5 — CID 158300425

About 7-chloro-4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;2-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]benzonitrile;3-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]pyridine-2-carbonitrile;4-[[4-[4-(4,6-dimethyl-3-pyridinyl)-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[2,6-dimethyl-4-(1,3,5-trimethylpyrazol-4-yl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile

7-chloro-4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;2-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]benzonitrile;3-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]pyridine-2-carbonitrile;4-[[4-[4-(4,6-dimethyl-3-pyridinyl)-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[2,6-dimethyl-4-(1,3,5-trimethylpyrazol-4-yl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile (PubChem CID 158300425) has the molecular formula C141H126ClN29O5 and a molecular weight of 2342.21 g/mol. Its IUPAC name is 7-chloro-4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;2-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]benzonitrile;3-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]pyridine-2-carbonitrile;4-[[4-[4-(4,6-dimethyl-3-pyridinyl)-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[2,6-dimethyl-4-(1,3,5-trimethylpyrazol-4-yl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile.

Molecular Properties

• Compound Name: 7-chloro-4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;2-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]benzonitrile;3-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]pyridine-2-carbonitrile;4-[[4-[4-(4,6-dimethyl-3-pyridinyl)-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[2,6-dimethyl-4-(1,3,5-trimethylpyrazol-4-yl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile
• PubChem CID: 158300425
• Molecular Formula: C141H126ClN29O5
• Molecular Weight: 2342.21 g/mol
• Exact Mass: 2340.02
• IUPAC Name: 7-chloro-4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;2-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]benzonitrile;3-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]pyridine-2-carbonitrile;4-[[4-[4-(4,6-dimethyl-3-pyridinyl)-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[2,6-dimethyl-4-(1,3,5-trimethylpyrazol-4-yl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile
• SMILES: Cc1cc(-c2c(C)nn(C)c2C)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2ccn(C)c12.Cc1cc(C)c(-c2cc(C)c(Oc3nc(Nc4ccc(C#N)cc4)nc4ccn(C)c34)c(C)c2)cn1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4ccccc4C#N)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4cccnc4C#N)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4ccncc4)cc3C)c3c(n2)c(Cl)cn3C)cc1
• InChI: InChI=1S/C29H26N6O.C29H25N5O.C28H27N7O.C28H24N6O.C27H24ClN5O/c1-17-12-20(4)31-16-24(17)22-13-18(2)27(19(3)14-22)36-28-26-25(10-11-35(26)5)33-29(34-28)32-23-8-6-21(15-30)7-9-23;1-18-9-11-23(12-10-18)31-29-32-25-13-14-34(4)26(25)28(33-29)35-27-19(2)15-22(16-20(27)3)24-8-6-5-7-21(24)17-30;1-16-13-21(24-18(3)33-35(6)19(24)4)14-17(2)26(16)36-27-25-23(11-12-34(25)5)31-28(32-27)30-22-9-7-20(15-29)8-10-22;1-17-7-9-21(10-8-17)31-28-32-23-11-13-34(4)25(23)27(33-28)35-26-18(2)14-20(15-19(26)3)22-6-5-12-30-24(22)16-29;1-16-5-7-21(8-6-16)30-27-31-23-22(28)15-33(4)24(23)26(32-27)34-25-17(2)13-20(14-18(25)3)19-9-11-29-12-10-19/h6-14,16H,1-5H3,(H,32,33,34);5-16H,1-4H3,(H,31,32,33);7-14H,1-6H3,(H,30,31,32);5-15H,1-4H3,(H,31,32,33);5-15H,1-4H3,(H,30,31,32)
• InChIKey: GMKXSTSFMKLBLL-UHFFFAOYSA-N
• XLogP: 33.16
• TPSA: 411.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2342.21
LogP ≤ 5	33.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;2-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]benzonitrile;3-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]pyridine-2-carbonitrile;4-[[4-[4-(4,6-dimethyl-3-pyridinyl)-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[2,6-dimethyl-4-(1,3,5-trimethylpyrazol-4-yl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile?

The IUPAC name of 7-chloro-4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;2-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]benzonitrile;3-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]pyridine-2-carbonitrile;4-[[4-[4-(4,6-dimethyl-3-pyridinyl)-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[2,6-dimethyl-4-(1,3,5-trimethylpyrazol-4-yl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile (CID 158300425) is 7-chloro-4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;2-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]benzonitrile;3-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]pyridine-2-carbonitrile;4-[[4-[4-(4,6-dimethyl-3-pyridinyl)-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[2,6-dimethyl-4-(1,3,5-trimethylpyrazol-4-yl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile.

What is the SMILES notation for 7-chloro-4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;2-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]benzonitrile;3-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]pyridine-2-carbonitrile;4-[[4-[4-(4,6-dimethyl-3-pyridinyl)-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[2,6-dimethyl-4-(1,3,5-trimethylpyrazol-4-yl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile?

The canonical SMILES for 7-chloro-4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;2-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]benzonitrile;3-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]pyridine-2-carbonitrile;4-[[4-[4-(4,6-dimethyl-3-pyridinyl)-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[2,6-dimethyl-4-(1,3,5-trimethylpyrazol-4-yl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile is Cc1cc(-c2c(C)nn(C)c2C)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2ccn(C)c12.Cc1cc(C)c(-c2cc(C)c(Oc3nc(Nc4ccc(C#N)cc4)nc4ccn(C)c34)c(C)c2)cn1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4ccccc4C#N)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4cccnc4C#N)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4ccncc4)cc3C)c3c(n2)c(Cl)cn3C)cc1.

What is the InChIKey of 7-chloro-4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;2-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]benzonitrile;3-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]pyridine-2-carbonitrile;4-[[4-[4-(4,6-dimethyl-3-pyridinyl)-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[2,6-dimethyl-4-(1,3,5-trimethylpyrazol-4-yl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile?

The InChIKey is GMKXSTSFMKLBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O.C29H25N5O.C28H27N7O.C28H24N6O.C27H24ClN5O/c1-17-12-20(4)31-16-24(17)22-13-18(2)27(19(3)14-22)36-28-26-25(10-11-35(26)5)33-29(34-28)32-23-8-6-21(15-30)7-9-23;1-18-9-11-23(12-10-18)31-29-32-25-13-14-34(4)26(25)28(33-29)35-27-19(2)15-22(16-20(27)3)24-8-6-5-7-21(24)17-30;1-16-13-21(24-18(3)33-35(6)19(24)4)14-17(2)26(16)36-27-25-23(11-12-34(25)5)31-28(32-27)30-22-9-7-20(15-29)8-10-22;1-17-7-9-21(10-8-17)31-28-32-23-11-13-34(4)25(23)27(33-28)35-26-18(2)14-20(15-19(26)3)22-6-5-12-30-24(22)16-29;1-16-5-7-21(8-6-16)30-27-31-23-22(28)15-33(4)24(23)26(32-27)34-25-17(2)13-20(14-18(25)3)19-9-11-29-12-10-19/h6-14,16H,1-5H3,(H,32,33,34);5-16H,1-4H3,(H,31,32,33);7-14H,1-6H3,(H,30,31,32);5-15H,1-4H3,(H,31,32,33);5-15H,1-4H3,(H,30,31,32).

What are the key properties of 7-chloro-4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;2-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]benzonitrile;3-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]pyridine-2-carbonitrile;4-[[4-[4-(4,6-dimethyl-3-pyridinyl)-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[2,6-dimethyl-4-(1,3,5-trimethylpyrazol-4-yl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile?

7-chloro-4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;2-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]benzonitrile;3-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]pyridine-2-carbonitrile;4-[[4-[4-(4,6-dimethyl-3-pyridinyl)-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[2,6-dimethyl-4-(1,3,5-trimethylpyrazol-4-yl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile has a molecular weight of 2342.21 g/mol, XLogP of 33.16, 25 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine;2-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]benzonitrile;3-[3,5-dimethyl-4-[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]oxyphenyl]pyridine-2-carbonitrile;4-[[4-[4-(4,6-dimethyl-3-pyridinyl)-2,6-dimethylphenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-[[4-[2,6-dimethyl-4-(1,3,5-trimethylpyrazol-4-yl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile is sourced from PubChem (CID 158300425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).