7-(2-chloro-4-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-ethoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(4-methylsulfanylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-methyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine

C103H94ClF3N24O9S — CID 159833761

About 7-(2-chloro-4-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-ethoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(4-methylsulfanylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-methyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine

7-(2-chloro-4-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-ethoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(4-methylsulfanylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-methyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 159833761) has the molecular formula C103H94ClF3N24O9S and a molecular weight of 1936.56 g/mol. Its IUPAC name is 7-(2-chloro-4-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-ethoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(4-methylsulfanylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-methyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 7-(2-chloro-4-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-ethoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(4-methylsulfanylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-methyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
• PubChem CID: 159833761
• Molecular Formula: C103H94ClF3N24O9S
• Molecular Weight: 1936.56 g/mol
• Exact Mass: 1934.70
• IUPAC Name: 7-(2-chloro-4-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-ethoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(4-methylsulfanylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-methyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
• SMILES: CCOc1ccc(C)c(Nc2ncc3ccn(-c4ccccn4)c3n2)c1.CNC(=O)Cc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.COc1cc(Nc2ncc3ccn(-c4ccc(SC)cc4)c3n2)cc(OC)c1OC.COc1ccc(C)c(Nc2ncc3ccn(-c4ccnc(Cl)c4)c3n2)c1.FC(F)(F)c1ccc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc1
• InChI: InChI=1S/C24H25N5O4.C22H22N4O3S.C20H19N5O.C19H16ClN5O.C18H12F3N5/c1-25-21(30)11-15-6-5-7-18(10-15)29-9-8-16-14-26-24(28-23(16)29)27-17-12-19(31-2)22(33-4)20(13-17)32-3;1-27-18-11-15(12-19(28-2)20(18)29-3)24-22-23-13-14-9-10-26(21(14)25-22)16-5-7-17(30-4)8-6-16;1-3-26-16-8-7-14(2)17(12-16)23-20-22-13-15-9-11-25(19(15)24-20)18-6-4-5-10-21-18;1-12-3-4-15(26-2)10-16(12)23-19-22-11-13-6-8-25(18(13)24-19)14-5-7-21-17(20)9-14;19-18(20,21)13-4-6-14(7-5-13)24-17-23-11-12-8-10-26(16(12)25-17)15-3-1-2-9-22-15/h5-10,12-14H,11H2,1-4H3,(H,25,30)(H,26,27,28);5-13H,1-4H3,(H,23,24,25);4-13H,3H2,1-2H3,(H,22,23,24);3-11H,1-2H3,(H,22,23,24);1-11H,(H,23,24,25)
• InChIKey: NNUDFUAAJAMDBH-UHFFFAOYSA-N
• XLogP: 21.76
• TPSA: 355.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1936.56
LogP ≤ 5	21.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-4-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-ethoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(4-methylsulfanylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-methyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of 7-(2-chloro-4-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-ethoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(4-methylsulfanylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-methyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 159833761) is 7-(2-chloro-4-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-ethoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(4-methylsulfanylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-methyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for 7-(2-chloro-4-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-ethoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(4-methylsulfanylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-methyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for 7-(2-chloro-4-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-ethoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(4-methylsulfanylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-methyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine is CCOc1ccc(C)c(Nc2ncc3ccn(-c4ccccn4)c3n2)c1.CNC(=O)Cc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.COc1cc(Nc2ncc3ccn(-c4ccc(SC)cc4)c3n2)cc(OC)c1OC.COc1ccc(C)c(Nc2ncc3ccn(-c4ccnc(Cl)c4)c3n2)c1.FC(F)(F)c1ccc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc1.

What is the InChIKey of 7-(2-chloro-4-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-ethoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(4-methylsulfanylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-methyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is NNUDFUAAJAMDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4.C22H22N4O3S.C20H19N5O.C19H16ClN5O.C18H12F3N5/c1-25-21(30)11-15-6-5-7-18(10-15)29-9-8-16-14-26-24(28-23(16)29)27-17-12-19(31-2)22(33-4)20(13-17)32-3;1-27-18-11-15(12-19(28-2)20(18)29-3)24-22-23-13-14-9-10-26(21(14)25-22)16-5-7-17(30-4)8-6-16;1-3-26-16-8-7-14(2)17(12-16)23-20-22-13-15-9-11-25(19(15)24-20)18-6-4-5-10-21-18;1-12-3-4-15(26-2)10-16(12)23-19-22-11-13-6-8-25(18(13)24-19)14-5-7-21-17(20)9-14;19-18(20,21)13-4-6-14(7-5-13)24-17-23-11-12-8-10-26(16(12)25-17)15-3-1-2-9-22-15/h5-10,12-14H,11H2,1-4H3,(H,25,30)(H,26,27,28);5-13H,1-4H3,(H,23,24,25);4-13H,3H2,1-2H3,(H,22,23,24);3-11H,1-2H3,(H,22,23,24);1-11H,(H,23,24,25).

What are the key properties of 7-(2-chloro-4-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-ethoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(4-methylsulfanylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-methyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine?

7-(2-chloro-4-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-ethoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(4-methylsulfanylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-methyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 1936.56 g/mol, XLogP of 21.76, 27 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-chloro-4-pyridinyl)-N-(5-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-ethoxy-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(4-methylsulfanylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-methyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 159833761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).