N-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide

C147H195N35O20S5 — CID 157300048

About N-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide

N-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide (PubChem CID 157300048) has the molecular formula C147H195N35O20S5 and a molecular weight of 2932.74 g/mol. Its IUPAC name is N-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide
• PubChem CID: 157300048
• Molecular Formula: C147H195N35O20S5
• Molecular Weight: 2932.74 g/mol
• Exact Mass: 2930.39
• IUPAC Name: N-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide
• SMILES: CCCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)(C)CN2.CCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCCC3)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCCCC3)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NCC(C)C)n1)C(C)(C)CN2
• InChI: InChI=1S/C31H41N7O4S.C30H39N7O4S.2C29H39N7O4S.C28H37N7O4S/c1-31(2)20-32-28-27(31)29(33-24-11-7-8-12-26(24)43(39,40)37-21-9-5-4-6-10-21)36-30(35-28)34-23-14-13-22(19-25(23)41-3)38-15-17-42-18-16-38;1-30(2)19-31-27-26(30)28(32-23-10-6-7-11-25(23)42(38,39)36-20-8-4-5-9-20)35-29(34-27)33-22-13-12-21(18-24(22)40-3)37-14-16-41-17-15-37;1-19(2)17-31-41(37,38)24-9-7-6-8-22(24)32-27-25-26(30-18-29(25,3)4)34-28(35-27)33-21-11-10-20(16-23(21)39-5)36-12-14-40-15-13-36;1-5-6-13-31-41(37,38)24-10-8-7-9-22(24)32-27-25-26(30-19-29(25,2)3)34-28(35-27)33-21-12-11-20(18-23(21)39-4)36-14-16-40-17-15-36;1-5-12-30-40(36,37)23-9-7-6-8-21(23)31-26-24-25(29-18-28(24,2)3)33-27(34-26)32-20-11-10-19(17-22(20)38-4)35-13-15-39-16-14-35/h7-8,11-14,19,21,37H,4-6,9-10,15-18,20H2,1-3H3,(H3,32,33,34,35,36);6-7,10-13,18,20,36H,4-5,8-9,14-17,19H2,1-3H3,(H3,31,32,33,34,35);6-11,16,19,31H,12-15,17-18H2,1-5H3,(H3,30,32,33,34,35);7-12,18,31H,5-6,13-17,19H2,1-4H3,(H3,30,32,33,34,35);6-11,17,30H,5,12-16,18H2,1-4H3,(H3,29,31,32,33,34)
• InChIKey: BBUFZRFZMPADCZ-UHFFFAOYSA-N
• XLogP: 23.09
• TPSA: 648.70 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 50
• Rotatable Bonds: 49
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2932.74
LogP ≤ 5	23.09
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide?

The IUPAC name of N-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide (CID 157300048) is N-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide.

What is the SMILES notation for N-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide?

The canonical SMILES for N-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide is CCCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)(C)CN2.CCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCCC3)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCCCC3)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NCC(C)C)n1)C(C)(C)CN2.

What is the InChIKey of N-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide?

The InChIKey is BBUFZRFZMPADCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O4S.C30H39N7O4S.2C29H39N7O4S.C28H37N7O4S/c1-31(2)20-32-28-27(31)29(33-24-11-7-8-12-26(24)43(39,40)37-21-9-5-4-6-10-21)36-30(35-28)34-23-14-13-22(19-25(23)41-3)38-15-17-42-18-16-38;1-30(2)19-31-27-26(30)28(32-23-10-6-7-11-25(23)42(38,39)36-20-8-4-5-9-20)35-29(34-27)33-22-13-12-21(18-24(22)40-3)37-14-16-41-17-15-37;1-19(2)17-31-41(37,38)24-9-7-6-8-22(24)32-27-25-26(30-18-29(25,3)4)34-28(35-27)33-21-11-10-20(16-23(21)39-5)36-12-14-40-15-13-36;1-5-6-13-31-41(37,38)24-10-8-7-9-22(24)32-27-25-26(30-19-29(25,2)3)34-28(35-27)33-21-12-11-20(18-23(21)39-4)36-14-16-40-17-15-36;1-5-12-30-40(36,37)23-9-7-6-8-21(23)31-26-24-25(29-18-28(24,2)3)33-27(34-26)32-20-11-10-19(17-22(20)38-4)35-13-15-39-16-14-35/h7-8,11-14,19,21,37H,4-6,9-10,15-18,20H2,1-3H3,(H3,32,33,34,35,36);6-7,10-13,18,20,36H,4-5,8-9,14-17,19H2,1-3H3,(H3,31,32,33,34,35);6-11,16,19,31H,12-15,17-18H2,1-5H3,(H3,30,32,33,34,35);7-12,18,31H,5-6,13-17,19H2,1-4H3,(H3,30,32,33,34,35);6-11,17,30H,5,12-16,18H2,1-4H3,(H3,29,31,32,33,34).

What are the key properties of N-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide?

N-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide has a molecular weight of 2932.74 g/mol, XLogP of 23.09, 49 rotatable bonds, 20 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclohexyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-cyclopentyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 157300048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).