N-tert-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(2-hydroxyethyl)-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-phenylbenzenesulfonamide

C145H186N36O21S5 — CID 158156303

About N-tert-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(2-hydroxyethyl)-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-phenylbenzenesulfonamide

N-tert-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(2-hydroxyethyl)-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-phenylbenzenesulfonamide (PubChem CID 158156303) has the molecular formula C145H186N36O21S5 and a molecular weight of 2929.65 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(2-hydroxyethyl)-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-phenylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(2-hydroxyethyl)-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-phenylbenzenesulfonamide
• PubChem CID: 158156303
• Molecular Formula: C145H186N36O21S5
• Molecular Weight: 2929.65 g/mol
• Exact Mass: 2927.32
• IUPAC Name: N-tert-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(2-hydroxyethyl)-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-phenylbenzenesulfonamide
• SMILES: COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)(C)C)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NCC3CC3)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NCCN(C)C)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NCCO)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)Nc3ccccc3)n1)C(C)(C)CN2
• InChI: InChI=1S/C31H35N7O4S.C29H40N8O4S.C29H37N7O4S.C29H39N7O4S.C27H35N7O5S/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;1-29(2)19-30-26-25(29)27(32-22-8-6-7-9-24(22)42(38,39)31-12-13-36(3)4)35-28(34-26)33-21-11-10-20(18-23(21)40-5)37-14-16-41-17-15-37;1-29(2)18-30-26-25(29)27(32-22-6-4-5-7-24(22)41(37,38)31-17-19-8-9-19)35-28(34-26)33-21-11-10-20(16-23(21)39-3)36-12-14-40-15-13-36;1-28(2,3)35-41(37,38)23-10-8-7-9-21(23)31-26-24-25(30-18-29(24,4)5)33-27(34-26)32-20-12-11-19(17-22(20)39-6)36-13-15-40-16-14-36;1-27(2)17-28-24-23(27)25(30-20-6-4-5-7-22(20)40(36,37)29-10-13-35)33-26(32-24)31-19-9-8-18(16-21(19)38-3)34-11-14-39-15-12-34/h4-14,19,37H,15-18,20H2,1-3H3,(H3,32,33,34,35,36);6-11,18,31H,12-17,19H2,1-5H3,(H3,30,32,33,34,35);4-7,10-11,16,19,31H,8-9,12-15,17-18H2,1-3H3,(H3,30,32,33,34,35);7-12,17,35H,13-16,18H2,1-6H3,(H3,30,31,32,33,34);4-9,16,29,35H,10-15,17H2,1-3H3,(H3,28,30,31,32,33)
• InChIKey: FVSRATOGZXHBDG-UHFFFAOYSA-N
• XLogP: 20.24
• TPSA: 672.17 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 52
• Rotatable Bonds: 48
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2929.65
LogP ≤ 5	20.24
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(2-hydroxyethyl)-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-phenylbenzenesulfonamide?

The IUPAC name of N-tert-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(2-hydroxyethyl)-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-phenylbenzenesulfonamide (CID 158156303) is N-tert-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(2-hydroxyethyl)-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-phenylbenzenesulfonamide.

What is the SMILES notation for N-tert-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(2-hydroxyethyl)-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-phenylbenzenesulfonamide?

The canonical SMILES for N-tert-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(2-hydroxyethyl)-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-phenylbenzenesulfonamide is COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)(C)C)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NCC3CC3)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NCCN(C)C)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NCCO)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)Nc3ccccc3)n1)C(C)(C)CN2.

What is the InChIKey of N-tert-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(2-hydroxyethyl)-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-phenylbenzenesulfonamide?

The InChIKey is FVSRATOGZXHBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7O4S.C29H40N8O4S.C29H37N7O4S.C29H39N7O4S.C27H35N7O5S/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;1-29(2)19-30-26-25(29)27(32-22-8-6-7-9-24(22)42(38,39)31-12-13-36(3)4)35-28(34-26)33-21-11-10-20(18-23(21)40-5)37-14-16-41-17-15-37;1-29(2)18-30-26-25(29)27(32-22-6-4-5-7-24(22)41(37,38)31-17-19-8-9-19)35-28(34-26)33-21-11-10-20(16-23(21)39-3)36-12-14-40-15-13-36;1-28(2,3)35-41(37,38)23-10-8-7-9-21(23)31-26-24-25(30-18-29(24,4)5)33-27(34-26)32-20-12-11-19(17-22(20)39-6)36-13-15-40-16-14-36;1-27(2)17-28-24-23(27)25(30-20-6-4-5-7-22(20)40(36,37)29-10-13-35)33-26(32-24)31-19-9-8-18(16-21(19)38-3)34-11-14-39-15-12-34/h4-14,19,37H,15-18,20H2,1-3H3,(H3,32,33,34,35,36);6-11,18,31H,12-17,19H2,1-5H3,(H3,30,32,33,34,35);4-7,10-11,16,19,31H,8-9,12-15,17-18H2,1-3H3,(H3,30,32,33,34,35);7-12,17,35H,13-16,18H2,1-6H3,(H3,30,31,32,33,34);4-9,16,29,35H,10-15,17H2,1-3H3,(H3,28,30,31,32,33).

What are the key properties of N-tert-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(2-hydroxyethyl)-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-phenylbenzenesulfonamide?

N-tert-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(2-hydroxyethyl)-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-phenylbenzenesulfonamide has a molecular weight of 2929.65 g/mol, XLogP of 20.24, 48 rotatable bonds, 21 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;N-(2-hydroxyethyl)-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-phenylbenzenesulfonamide is sourced from PubChem (CID 158156303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).