N-(4,5-dimethoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[2-(2,5-dimethylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-propylbenzenesulfonamide;7-(3,5-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-iodo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

C107H103F3IN23O10S — CID 162218780

About N-(4,5-dimethoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[2-(2,5-dimethylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-propylbenzenesulfonamide;7-(3,5-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-iodo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

N-(4,5-dimethoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[2-(2,5-dimethylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-propylbenzenesulfonamide;7-(3,5-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-iodo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 162218780) has the molecular formula C107H103F3IN23O10S and a molecular weight of 2087.12 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[2-(2,5-dimethylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-propylbenzenesulfonamide;7-(3,5-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-iodo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(4,5-dimethoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[2-(2,5-dimethylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-propylbenzenesulfonamide;7-(3,5-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-iodo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
• PubChem CID: 162218780
• Molecular Formula: C107H103F3IN23O10S
• Molecular Weight: 2087.12 g/mol
• Exact Mass: 2085.70
• IUPAC Name: N-(4,5-dimethoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[2-(2,5-dimethylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-propylbenzenesulfonamide;7-(3,5-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-iodo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
• SMILES: CCCNS(=O)(=O)c1ccccc1-n1ccc2cnc(Nc3cc(C)ccc3C)nc21.COc1cc(C)c(Nc2ncc3ccn(-c4ccc(C)cn4)c3n2)cc1OC.COc1cc(Nc2ncc3ccn(-c4cc(C)cc(C)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C(F)(F)F)c4)c3n2)cc(OC)c1OC.Cc1ccc(I)cc1Nc1ncc2ccn(-c3ccccn3)c2n1
• InChI: InChI=1S/C23H25N5O2S.C23H24N4O3.C22H19F3N4O3.C21H21N5O2.C18H14IN5/c1-4-12-25-31(29,30)21-8-6-5-7-20(21)28-13-11-18-15-24-23(27-22(18)28)26-19-14-16(2)9-10-17(19)3;1-14-8-15(2)10-18(9-14)27-7-6-16-13-24-23(26-22(16)27)25-17-11-19(28-3)21(30-5)20(12-17)29-4;1-30-17-10-15(11-18(31-2)19(17)32-3)27-21-26-12-13-7-8-29(20(13)28-21)16-6-4-5-14(9-16)22(23,24)25;1-13-5-6-19(22-11-13)26-8-7-15-12-23-21(25-20(15)26)24-16-10-18(28-4)17(27-3)9-14(16)2;1-12-5-6-14(19)10-15(12)22-18-21-11-13-7-9-24(17(13)23-18)16-4-2-3-8-20-16/h5-11,13-15,25H,4,12H2,1-3H3,(H,24,26,27);6-13H,1-5H3,(H,24,25,26);4-12H,1-3H3,(H,26,27,28);5-12H,1-4H3,(H,23,24,25);2-11H,1H3,(H,21,22,23)
• InChIKey: ZTVLADPUEOJQEN-UHFFFAOYSA-N
• XLogP: 23.15
• TPSA: 359.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 27
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2087.12
LogP ≤ 5	23.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[2-(2,5-dimethylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-propylbenzenesulfonamide;7-(3,5-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-iodo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[2-(2,5-dimethylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-propylbenzenesulfonamide;7-(3,5-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-iodo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 162218780) is N-(4,5-dimethoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[2-(2,5-dimethylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-propylbenzenesulfonamide;7-(3,5-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-iodo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[2-(2,5-dimethylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-propylbenzenesulfonamide;7-(3,5-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-iodo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[2-(2,5-dimethylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-propylbenzenesulfonamide;7-(3,5-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-iodo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is CCCNS(=O)(=O)c1ccccc1-n1ccc2cnc(Nc3cc(C)ccc3C)nc21.COc1cc(C)c(Nc2ncc3ccn(-c4ccc(C)cn4)c3n2)cc1OC.COc1cc(Nc2ncc3ccn(-c4cc(C)cc(C)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(C(F)(F)F)c4)c3n2)cc(OC)c1OC.Cc1ccc(I)cc1Nc1ncc2ccn(-c3ccccn3)c2n1.

What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[2-(2,5-dimethylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-propylbenzenesulfonamide;7-(3,5-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-iodo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is ZTVLADPUEOJQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S.C23H24N4O3.C22H19F3N4O3.C21H21N5O2.C18H14IN5/c1-4-12-25-31(29,30)21-8-6-5-7-20(21)28-13-11-18-15-24-23(27-22(18)28)26-19-14-16(2)9-10-17(19)3;1-14-8-15(2)10-18(9-14)27-7-6-16-13-24-23(26-22(16)27)25-17-11-19(28-3)21(30-5)20(12-17)29-4;1-30-17-10-15(11-18(31-2)19(17)32-3)27-21-26-12-13-7-8-29(20(13)28-21)16-6-4-5-14(9-16)22(23,24)25;1-13-5-6-19(22-11-13)26-8-7-15-12-23-21(25-20(15)26)24-16-10-18(28-4)17(27-3)9-14(16)2;1-12-5-6-14(19)10-15(12)22-18-21-11-13-7-9-24(17(13)23-18)16-4-2-3-8-20-16/h5-11,13-15,25H,4,12H2,1-3H3,(H,24,26,27);6-13H,1-5H3,(H,24,25,26);4-12H,1-3H3,(H,26,27,28);5-12H,1-4H3,(H,23,24,25);2-11H,1H3,(H,21,22,23).

What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[2-(2,5-dimethylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-propylbenzenesulfonamide;7-(3,5-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-iodo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

N-(4,5-dimethoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[2-(2,5-dimethylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-propylbenzenesulfonamide;7-(3,5-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-iodo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 2087.12 g/mol, XLogP of 23.15, 27 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,5-dimethoxy-2-methylphenyl)-7-(5-methyl-2-pyridinyl)pyrrolo[2,3-d]pyrimidin-2-amine;2-[2-(2,5-dimethylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-N-propylbenzenesulfonamide;7-(3,5-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-(5-iodo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 162218780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).