N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-chloro-4-pyridinyl)-N-(4-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-(dimethylamino)propyl]-4-[4-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanamide;N,N-dimethyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(2-hydroxyethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide

C117H122BrClN26O14 — CID 159855119

About N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-chloro-4-pyridinyl)-N-(4-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-(dimethylamino)propyl]-4-[4-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanamide;N,N-dimethyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(2-hydroxyethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide

N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-chloro-4-pyridinyl)-N-(4-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-(dimethylamino)propyl]-4-[4-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanamide;N,N-dimethyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(2-hydroxyethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide (PubChem CID 159855119) has the molecular formula C117H122BrClN26O14 and a molecular weight of 2231.79 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-chloro-4-pyridinyl)-N-(4-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-(dimethylamino)propyl]-4-[4-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanamide;N,N-dimethyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(2-hydroxyethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-chloro-4-pyridinyl)-N-(4-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-(dimethylamino)propyl]-4-[4-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanamide;N,N-dimethyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(2-hydroxyethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide
• PubChem CID: 159855119
• Molecular Formula: C117H122BrClN26O14
• Molecular Weight: 2231.79 g/mol
• Exact Mass: 2228.85
• IUPAC Name: N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-chloro-4-pyridinyl)-N-(4-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-(dimethylamino)propyl]-4-[4-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanamide;N,N-dimethyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(2-hydroxyethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide
• SMILES: COc1cc(Nc2ncc3ccn(-c4ccc(CCCC(=O)NCCCN(C)C)cc4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)N(C)C)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NCCO)c4)c3n2)cc(OC)c1OC.COc1ccc(Nc2ncc3ccn(-c4ccnc(Cl)c4)c3n2)c(C)c1.Cc1ccc(Br)cc1Nc1ncc2ccn(-c3ccccn3)c2n1
• InChI: InChI=1S/C30H38N6O4.C25H27N5O5.C25H27N5O4.C19H16ClN5O.C18H14BrN5/c1-35(2)16-7-15-31-27(37)9-6-8-21-10-12-24(13-11-21)36-17-14-22-20-32-30(34-29(22)36)33-23-18-25(38-3)28(40-5)26(19-23)39-4;1-33-20-13-18(14-21(34-2)23(20)35-3)28-25-27-15-17-7-9-30(24(17)29-25)19-6-4-5-16(11-19)12-22(32)26-8-10-31;1-29(2)22(31)12-16-7-6-8-19(11-16)30-10-9-17-15-26-25(28-24(17)30)27-18-13-20(32-3)23(34-5)21(14-18)33-4;1-12-9-15(26-2)3-4-16(12)23-19-22-11-13-6-8-25(18(13)24-19)14-5-7-21-17(20)10-14;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/h10-14,17-20H,6-9,15-16H2,1-5H3,(H,31,37)(H,32,33,34);4-7,9,11,13-15,31H,8,10,12H2,1-3H3,(H,26,32)(H,27,28,29);6-11,13-15H,12H2,1-5H3,(H,26,27,28);3-11H,1-2H3,(H,22,23,24);2-11H,1H3,(H,21,22,23)
• InChIKey: NQKVPMSJCUHXMO-UHFFFAOYSA-N
• XLogP: 20.40
• TPSA: 433.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 39
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2231.79
LogP ≤ 5	20.40
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-chloro-4-pyridinyl)-N-(4-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-(dimethylamino)propyl]-4-[4-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanamide;N,N-dimethyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(2-hydroxyethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide?

The IUPAC name of N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-chloro-4-pyridinyl)-N-(4-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-(dimethylamino)propyl]-4-[4-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanamide;N,N-dimethyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(2-hydroxyethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide (CID 159855119) is N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-chloro-4-pyridinyl)-N-(4-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-(dimethylamino)propyl]-4-[4-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanamide;N,N-dimethyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(2-hydroxyethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide.

What is the SMILES notation for N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-chloro-4-pyridinyl)-N-(4-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-(dimethylamino)propyl]-4-[4-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanamide;N,N-dimethyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(2-hydroxyethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide?

The canonical SMILES for N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-chloro-4-pyridinyl)-N-(4-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-(dimethylamino)propyl]-4-[4-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanamide;N,N-dimethyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(2-hydroxyethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide is COc1cc(Nc2ncc3ccn(-c4ccc(CCCC(=O)NCCCN(C)C)cc4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)N(C)C)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NCCO)c4)c3n2)cc(OC)c1OC.COc1ccc(Nc2ncc3ccn(-c4ccnc(Cl)c4)c3n2)c(C)c1.Cc1ccc(Br)cc1Nc1ncc2ccn(-c3ccccn3)c2n1.

What is the InChIKey of N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-chloro-4-pyridinyl)-N-(4-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-(dimethylamino)propyl]-4-[4-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanamide;N,N-dimethyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(2-hydroxyethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide?

The InChIKey is NQKVPMSJCUHXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O4.C25H27N5O5.C25H27N5O4.C19H16ClN5O.C18H14BrN5/c1-35(2)16-7-15-31-27(37)9-6-8-21-10-12-24(13-11-21)36-17-14-22-20-32-30(34-29(22)36)33-23-18-25(38-3)28(40-5)26(19-23)39-4;1-33-20-13-18(14-21(34-2)23(20)35-3)28-25-27-15-17-7-9-30(24(17)29-25)19-6-4-5-16(11-19)12-22(32)26-8-10-31;1-29(2)22(31)12-16-7-6-8-19(11-16)30-10-9-17-15-26-25(28-24(17)30)27-18-13-20(32-3)23(34-5)21(14-18)33-4;1-12-9-15(26-2)3-4-16(12)23-19-22-11-13-6-8-25(18(13)24-19)14-5-7-21-17(20)10-14;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/h10-14,17-20H,6-9,15-16H2,1-5H3,(H,31,37)(H,32,33,34);4-7,9,11,13-15,31H,8,10,12H2,1-3H3,(H,26,32)(H,27,28,29);6-11,13-15H,12H2,1-5H3,(H,26,27,28);3-11H,1-2H3,(H,22,23,24);2-11H,1H3,(H,21,22,23).

What are the key properties of N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-chloro-4-pyridinyl)-N-(4-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-(dimethylamino)propyl]-4-[4-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanamide;N,N-dimethyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(2-hydroxyethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide?

N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-chloro-4-pyridinyl)-N-(4-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-(dimethylamino)propyl]-4-[4-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanamide;N,N-dimethyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(2-hydroxyethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide has a molecular weight of 2231.79 g/mol, XLogP of 20.40, 39 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(2-chloro-4-pyridinyl)-N-(4-methoxy-2-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-(dimethylamino)propyl]-4-[4-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]butanamide;N,N-dimethyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;N-(2-hydroxyethyl)-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide is sourced from PubChem (CID 159855119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).