N-(5-methoxy-2-methylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(4-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzenesulfonamide;methyl 2-[[2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetyl]amino]acetate

C107H104N26O15S — CID 159691292

About N-(5-methoxy-2-methylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(4-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzenesulfonamide;methyl 2-[[2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetyl]amino]acetate

N-(5-methoxy-2-methylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(4-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzenesulfonamide;methyl 2-[[2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetyl]amino]acetate (PubChem CID 159691292) has the molecular formula C107H104N26O15S and a molecular weight of 2026.24 g/mol. Its IUPAC name is N-(5-methoxy-2-methylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(4-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzenesulfonamide;methyl 2-[[2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetyl]amino]acetate.

Molecular Properties

• Compound Name: N-(5-methoxy-2-methylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(4-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzenesulfonamide;methyl 2-[[2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetyl]amino]acetate
• PubChem CID: 159691292
• Molecular Formula: C107H104N26O15S
• Molecular Weight: 2026.24 g/mol
• Exact Mass: 2024.79
• IUPAC Name: N-(5-methoxy-2-methylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(4-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzenesulfonamide;methyl 2-[[2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetyl]amino]acetate
• SMILES: CNS(=O)(=O)c1ccccc1Cn1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc21.COC(=O)CNC(=O)Cc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.COc1ccc(C)c(Nc2ncc3ccn(-c4ccc(OC)nc4)c3n2)c1.COc1ccc(Nc2ncc3ccn(-c4ccncc4)c3n2)c(C)c1.Cc1ccc(C(N)=O)cc1Nc1ncc2ccn(-c3ccccn3)c2n1
• InChI: InChI=1S/C26H27N5O6.C23H25N5O5S.C20H19N5O2.C19H16N6O.C19H17N5O/c1-34-20-12-18(13-21(35-2)24(20)37-4)29-26-28-14-17-8-9-31(25(17)30-26)19-7-5-6-16(10-19)11-22(32)27-15-23(33)36-3;1-24-34(29,30)20-8-6-5-7-16(20)14-28-10-9-15-13-25-23(27-22(15)28)26-17-11-18(31-2)21(33-4)19(12-17)32-3;1-13-4-6-16(26-2)10-17(13)23-20-22-11-14-8-9-25(19(14)24-20)15-5-7-18(27-3)21-12-15;1-12-5-6-13(17(20)26)10-15(12)23-19-22-11-14-7-9-25(18(14)24-19)16-4-2-3-8-21-16;1-13-11-16(25-2)3-4-17(13)22-19-21-12-14-7-10-24(18(14)23-19)15-5-8-20-9-6-15/h5-10,12-14H,11,15H2,1-4H3,(H,27,32)(H,28,29,30);5-13,24H,14H2,1-4H3,(H,25,26,27);4-12H,1-3H3,(H,22,23,24);2-11H,1H3,(H2,20,26)(H,22,23,24);3-12H,1-2H3,(H,21,22,23)
• InChIKey: MWLGICAGKXILLL-UHFFFAOYSA-N
• XLogP: 16.91
• TPSA: 480.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 32
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2026.24
LogP ≤ 5	16.91
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(4-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzenesulfonamide;methyl 2-[[2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetyl]amino]acetate?

The IUPAC name of N-(5-methoxy-2-methylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(4-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzenesulfonamide;methyl 2-[[2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetyl]amino]acetate (CID 159691292) is N-(5-methoxy-2-methylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(4-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzenesulfonamide;methyl 2-[[2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetyl]amino]acetate.

What is the SMILES notation for N-(5-methoxy-2-methylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(4-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzenesulfonamide;methyl 2-[[2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetyl]amino]acetate?

The canonical SMILES for N-(5-methoxy-2-methylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(4-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzenesulfonamide;methyl 2-[[2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetyl]amino]acetate is CNS(=O)(=O)c1ccccc1Cn1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc21.COC(=O)CNC(=O)Cc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.COc1ccc(C)c(Nc2ncc3ccn(-c4ccc(OC)nc4)c3n2)c1.COc1ccc(Nc2ncc3ccn(-c4ccncc4)c3n2)c(C)c1.Cc1ccc(C(N)=O)cc1Nc1ncc2ccn(-c3ccccn3)c2n1.

What is the InChIKey of N-(5-methoxy-2-methylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(4-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzenesulfonamide;methyl 2-[[2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetyl]amino]acetate?

The InChIKey is MWLGICAGKXILLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O6.C23H25N5O5S.C20H19N5O2.C19H16N6O.C19H17N5O/c1-34-20-12-18(13-21(35-2)24(20)37-4)29-26-28-14-17-8-9-31(25(17)30-26)19-7-5-6-16(10-19)11-22(32)27-15-23(33)36-3;1-24-34(29,30)20-8-6-5-7-16(20)14-28-10-9-15-13-25-23(27-22(15)28)26-17-11-18(31-2)21(33-4)19(12-17)32-3;1-13-4-6-16(26-2)10-17(13)23-20-22-11-14-8-9-25(19(14)24-20)15-5-7-18(27-3)21-12-15;1-12-5-6-13(17(20)26)10-15(12)23-19-22-11-14-7-9-25(18(14)24-19)16-4-2-3-8-21-16;1-13-11-16(25-2)3-4-17(13)22-19-21-12-14-7-10-24(18(14)23-19)15-5-8-20-9-6-15/h5-10,12-14H,11,15H2,1-4H3,(H,27,32)(H,28,29,30);5-13,24H,14H2,1-4H3,(H,25,26,27);4-12H,1-3H3,(H,22,23,24);2-11H,1H3,(H2,20,26)(H,22,23,24);3-12H,1-2H3,(H,21,22,23).

What are the key properties of N-(5-methoxy-2-methylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(4-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzenesulfonamide;methyl 2-[[2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetyl]amino]acetate?

N-(5-methoxy-2-methylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(4-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzenesulfonamide;methyl 2-[[2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetyl]amino]acetate has a molecular weight of 2026.24 g/mol, XLogP of 16.91, 32 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methoxy-2-methylphenyl)-7-(6-methoxy-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(4-methoxy-2-methylphenyl)-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-amine;4-methyl-3-[(7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzenesulfonamide;methyl 2-[[2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetyl]amino]acetate is sourced from PubChem (CID 159691292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).