2-[[2-(2-methoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]acetamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]-N-methylmethanesulfonamide;N-methyl-2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide

C123H141N33O16S2 — CID 158209387

About 2-[[2-(2-methoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]acetamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]-N-methylmethanesulfonamide;N-methyl-2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide

2-[[2-(2-methoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]acetamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]-N-methylmethanesulfonamide;N-methyl-2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide (PubChem CID 158209387) has the molecular formula C123H141N33O16S2 and a molecular weight of 2401.83 g/mol. Its IUPAC name is 2-[[2-(2-methoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]acetamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]-N-methylmethanesulfonamide;N-methyl-2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide.

Molecular Properties

• Compound Name: 2-[[2-(2-methoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]acetamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]-N-methylmethanesulfonamide;N-methyl-2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide
• PubChem CID: 158209387
• Molecular Formula: C123H141N33O16S2
• Molecular Weight: 2401.83 g/mol
• Exact Mass: 2400.07
• IUPAC Name: 2-[[2-(2-methoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]acetamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]-N-methylmethanesulfonamide;N-methyl-2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide
• SMILES: CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)nc2c1CCN2.CNC(=O)c1ccccc1Nc1nc(Nc2ccccc2OC)nc2c1CCN2.CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)nc2c1C1(CC1)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3N(C)S(C)(=O)=O)n1)C1(CC1)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3NC(C)=O)n1)C1(CC1)CN2
• InChI: InChI=1S/C27H33N7O4S.C27H31N7O3.C24H27N7O2.C24H28N6O5S.C21H22N6O2/c1-33(39(3,35)36)21-7-5-4-6-19(21)29-25-23-24(28-17-27(23)10-11-27)31-26(32-25)30-20-9-8-18(16-22(20)37-2)34-12-14-38-15-13-34;1-17(35)29-19-5-3-4-6-20(19)30-25-23-24(28-16-27(23)9-10-27)32-26(33-25)31-21-8-7-18(15-22(21)36-2)34-11-13-37-14-12-34;1-25-23(32)18-4-2-3-5-20(18)28-22-19-10-11-26-21(19)29-24(30-22)27-16-6-8-17(9-7-16)31-12-14-33-15-13-31;1-25-36(31,32)18-8-6-5-7-15(18)28-22-19-21(26-13-24(19)9-10-24)29-23(30-22)27-14-11-16(33-2)20(35-4)17(12-14)34-3;1-22-20(28)13-7-3-4-8-15(13)24-19-14-11-12-23-18(14)26-21(27-19)25-16-9-5-6-10-17(16)29-2/h4-9,16H,10-15,17H2,1-3H3,(H3,28,29,30,31,32);3-8,15H,9-14,16H2,1-2H3,(H,29,35)(H3,28,30,31,32,33);2-9H,10-15H2,1H3,(H,25,32)(H3,26,27,28,29,30);5-8,11-12,25H,9-10,13H2,1-4H3,(H3,26,27,28,29,30);3-10H,11-12H2,1-2H3,(H,22,28)(H3,23,24,25,26,27)
• InChIKey: GBWQKGMQBVHBGA-UHFFFAOYSA-N
• XLogP: 17.67
• TPSA: 572.99 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 44
• Rotatable Bonds: 36
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2401.83
LogP ≤ 5	17.67
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]acetamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]-N-methylmethanesulfonamide;N-methyl-2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide?

The IUPAC name of 2-[[2-(2-methoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]acetamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]-N-methylmethanesulfonamide;N-methyl-2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide (CID 158209387) is 2-[[2-(2-methoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]acetamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]-N-methylmethanesulfonamide;N-methyl-2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide.

What is the SMILES notation for 2-[[2-(2-methoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]acetamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]-N-methylmethanesulfonamide;N-methyl-2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide?

The canonical SMILES for 2-[[2-(2-methoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]acetamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]-N-methylmethanesulfonamide;N-methyl-2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide is CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)nc2c1CCN2.CNC(=O)c1ccccc1Nc1nc(Nc2ccccc2OC)nc2c1CCN2.CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)nc2c1C1(CC1)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3N(C)S(C)(=O)=O)n1)C1(CC1)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3NC(C)=O)n1)C1(CC1)CN2.

What is the InChIKey of 2-[[2-(2-methoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]acetamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]-N-methylmethanesulfonamide;N-methyl-2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide?

The InChIKey is GBWQKGMQBVHBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O4S.C27H31N7O3.C24H27N7O2.C24H28N6O5S.C21H22N6O2/c1-33(39(3,35)36)21-7-5-4-6-19(21)29-25-23-24(28-17-27(23)10-11-27)31-26(32-25)30-20-9-8-18(16-22(20)37-2)34-12-14-38-15-13-34;1-17(35)29-19-5-3-4-6-20(19)30-25-23-24(28-16-27(23)9-10-27)32-26(33-25)31-21-8-7-18(15-22(21)36-2)34-11-13-37-14-12-34;1-25-23(32)18-4-2-3-5-20(18)28-22-19-10-11-26-21(19)29-24(30-22)27-16-6-8-17(9-7-16)31-12-14-33-15-13-31;1-25-36(31,32)18-8-6-5-7-15(18)28-22-19-21(26-13-24(19)9-10-24)29-23(30-22)27-14-11-16(33-2)20(35-4)17(12-14)34-3;1-22-20(28)13-7-3-4-8-15(13)24-19-14-11-12-23-18(14)26-21(27-19)25-16-9-5-6-10-17(16)29-2/h4-9,16H,10-15,17H2,1-3H3,(H3,28,29,30,31,32);3-8,15H,9-14,16H2,1-2H3,(H,29,35)(H3,28,30,31,32,33);2-9H,10-15H2,1H3,(H,25,32)(H3,26,27,28,29,30);5-8,11-12,25H,9-10,13H2,1-4H3,(H3,26,27,28,29,30);3-10H,11-12H2,1-2H3,(H,22,28)(H3,23,24,25,26,27).

What are the key properties of 2-[[2-(2-methoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]acetamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]-N-methylmethanesulfonamide;N-methyl-2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide?

2-[[2-(2-methoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]acetamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]-N-methylmethanesulfonamide;N-methyl-2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide has a molecular weight of 2401.83 g/mol, XLogP of 17.67, 36 rotatable bonds, 19 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(2-methoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]acetamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]phenyl]-N-methylmethanesulfonamide;N-methyl-2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)spiro[6,7-dihydropyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 158209387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).