3-[3,5-dimethyl-4-[[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]pyridine-2-carbonitrile;4-[[4-[2,6-dimethyl-4-(5-methyl-3-pyridinyl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-N-(2,6-dimethyl-4-pyridin-4-ylphenyl)-5-methyl-2-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-[2,6-dimethyl-4-(1H-pyrrol-2-yl)phenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine

C135H123N29O3 — CID 157179809

About 3-[3,5-dimethyl-4-[[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]pyridine-2-carbonitrile;4-[[4-[2,6-dimethyl-4-(5-methyl-3-pyridinyl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-N-(2,6-dimethyl-4-pyridin-4-ylphenyl)-5-methyl-2-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-[2,6-dimethyl-4-(1H-pyrrol-2-yl)phenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine

3-[3,5-dimethyl-4-[[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]pyridine-2-carbonitrile;4-[[4-[2,6-dimethyl-4-(5-methyl-3-pyridinyl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-N-(2,6-dimethyl-4-pyridin-4-ylphenyl)-5-methyl-2-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-[2,6-dimethyl-4-(1H-pyrrol-2-yl)phenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 157179809) has the molecular formula C135H123N29O3 and a molecular weight of 2199.67 g/mol. Its IUPAC name is 3-[3,5-dimethyl-4-[[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]pyridine-2-carbonitrile;4-[[4-[2,6-dimethyl-4-(5-methyl-3-pyridinyl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-N-(2,6-dimethyl-4-pyridin-4-ylphenyl)-5-methyl-2-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-[2,6-dimethyl-4-(1H-pyrrol-2-yl)phenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 3-[3,5-dimethyl-4-[[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]pyridine-2-carbonitrile;4-[[4-[2,6-dimethyl-4-(5-methyl-3-pyridinyl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-N-(2,6-dimethyl-4-pyridin-4-ylphenyl)-5-methyl-2-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-[2,6-dimethyl-4-(1H-pyrrol-2-yl)phenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine
• PubChem CID: 157179809
• Molecular Formula: C135H123N29O3
• Molecular Weight: 2199.67 g/mol
• Exact Mass: 2198.04
• IUPAC Name: 3-[3,5-dimethyl-4-[[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]pyridine-2-carbonitrile;4-[[4-[2,6-dimethyl-4-(5-methyl-3-pyridinyl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-N-(2,6-dimethyl-4-pyridin-4-ylphenyl)-5-methyl-2-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-[2,6-dimethyl-4-(1H-pyrrol-2-yl)phenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine
• SMILES: Cc1ccc(Nc2nc(Nc3c(C)cc(-c4cccnc4C#N)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Nc3c(C)cc(-c4ccncc4)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4ccc[nH]4)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4ccncc4)cc3C)c3cc[nH]c3n2)cc1.Cc1cncc(-c2cc(C)c(Oc3nc(Nc4ccc(C#N)cc4)nc4ccn(C)c34)c(C)c2)c1
• InChI: InChI=1S/C28H25N7.C28H24N6O.C27H26N6.C26H25N5O.C26H23N5O/c1-17-7-9-21(10-8-17)31-28-32-23-11-13-35(4)26(23)27(34-28)33-25-18(2)14-20(15-19(25)3)22-6-5-12-30-24(22)16-29;1-17-11-22(16-30-15-17)21-12-18(2)26(19(3)13-21)35-27-25-24(9-10-34(25)4)32-28(33-27)31-23-7-5-20(14-29)6-8-23;1-17-5-7-22(8-6-17)29-27-30-23-11-14-33(4)25(23)26(32-27)31-24-18(2)15-21(16-19(24)3)20-9-12-28-13-10-20;1-16-7-9-20(10-8-16)28-26-29-22-11-13-31(4)23(22)25(30-26)32-24-17(2)14-19(15-18(24)3)21-6-5-12-27-21;1-16-4-6-21(7-5-16)29-26-30-24-22(10-13-28-24)25(31-26)32-23-17(2)14-20(15-18(23)3)19-8-11-27-12-9-19/h5-15H,1-4H3,(H2,31,32,33,34);5-13,15-16H,1-4H3,(H,31,32,33);5-16H,1-4H3,(H2,29,30,31,32);5-15,27H,1-4H3,(H,28,29,30);4-15H,1-3H3,(H2,28,29,30,31)
• InChIKey: AOLAZHKPZMAOSV-UHFFFAOYSA-N
• XLogP: 32.03
• TPSA: 391.24 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2199.67
LogP ≤ 5	32.03
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of 3-[3,5-dimethyl-4-[[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]pyridine-2-carbonitrile;4-[[4-[2,6-dimethyl-4-(5-methyl-3-pyridinyl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-N-(2,6-dimethyl-4-pyridin-4-ylphenyl)-5-methyl-2-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-[2,6-dimethyl-4-(1H-pyrrol-2-yl)phenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine (CID 157179809) is 3-[3,5-dimethyl-4-[[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]pyridine-2-carbonitrile;4-[[4-[2,6-dimethyl-4-(5-methyl-3-pyridinyl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-N-(2,6-dimethyl-4-pyridin-4-ylphenyl)-5-methyl-2-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-[2,6-dimethyl-4-(1H-pyrrol-2-yl)phenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine.

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

The canonical SMILES for 3-[3,5-dimethyl-4-[[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]pyridine-2-carbonitrile;4-[[4-[2,6-dimethyl-4-(5-methyl-3-pyridinyl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-N-(2,6-dimethyl-4-pyridin-4-ylphenyl)-5-methyl-2-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-[2,6-dimethyl-4-(1H-pyrrol-2-yl)phenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine is Cc1ccc(Nc2nc(Nc3c(C)cc(-c4cccnc4C#N)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Nc3c(C)cc(-c4ccncc4)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4ccc[nH]4)cc3C)c3c(ccn3C)n2)cc1.Cc1ccc(Nc2nc(Oc3c(C)cc(-c4ccncc4)cc3C)c3cc[nH]c3n2)cc1.Cc1cncc(-c2cc(C)c(Oc3nc(Nc4ccc(C#N)cc4)nc4ccn(C)c34)c(C)c2)c1.

What is the InChIKey of 3-[3,5-dimethyl-4-[[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]pyridine-2-carbonitrile;4-[[4-[2,6-dimethyl-4-(5-methyl-3-pyridinyl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-N-(2,6-dimethyl-4-pyridin-4-ylphenyl)-5-methyl-2-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-[2,6-dimethyl-4-(1H-pyrrol-2-yl)phenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine?

The InChIKey is AOLAZHKPZMAOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7.C28H24N6O.C27H26N6.C26H25N5O.C26H23N5O/c1-17-7-9-21(10-8-17)31-28-32-23-11-13-35(4)26(23)27(34-28)33-25-18(2)14-20(15-19(25)3)22-6-5-12-30-24(22)16-29;1-17-11-22(16-30-15-17)21-12-18(2)26(19(3)13-21)35-27-25-24(9-10-34(25)4)32-28(33-27)31-23-7-5-20(14-29)6-8-23;1-17-5-7-22(8-6-17)29-27-30-23-11-14-33(4)25(23)26(32-27)31-24-18(2)15-21(16-19(24)3)20-9-12-28-13-10-20;1-16-7-9-20(10-8-16)28-26-29-22-11-13-31(4)23(22)25(30-26)32-24-17(2)14-19(15-18(24)3)21-6-5-12-27-21;1-16-4-6-21(7-5-16)29-26-30-24-22(10-13-28-24)25(31-26)32-23-17(2)14-20(15-18(23)3)19-8-11-27-12-9-19/h5-15H,1-4H3,(H2,31,32,33,34);5-13,15-16H,1-4H3,(H,31,32,33);5-16H,1-4H3,(H2,29,30,31,32);5-15,27H,1-4H3,(H,28,29,30);4-15H,1-3H3,(H2,28,29,30,31).

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

3-[3,5-dimethyl-4-[[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]pyridine-2-carbonitrile;4-[[4-[2,6-dimethyl-4-(5-methyl-3-pyridinyl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-N-(2,6-dimethyl-4-pyridin-4-ylphenyl)-5-methyl-2-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-[2,6-dimethyl-4-(1H-pyrrol-2-yl)phenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 2199.67 g/mol, XLogP of 32.03, 25 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3,5-dimethyl-4-[[5-methyl-2-(4-methylanilino)pyrrolo[3,2-d]pyrimidin-4-yl]amino]phenyl]pyridine-2-carbonitrile;4-[[4-[2,6-dimethyl-4-(5-methyl-3-pyridinyl)phenoxy]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]amino]benzonitrile;4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-N-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-N-(2,6-dimethyl-4-pyridin-4-ylphenyl)-5-methyl-2-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-[2,6-dimethyl-4-(1H-pyrrol-2-yl)phenoxy]-5-methyl-N-(4-methylphenyl)pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 157179809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).