N-cyclobutyl-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-methylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[(5R)-2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide

C136H173N35O19S4 — CID 159180540

About N-cyclobutyl-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-methylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[(5R)-2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide

N-cyclobutyl-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-methylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[(5R)-2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 159180540) has the molecular formula C136H173N35O19S4 and a molecular weight of 2730.37 g/mol. Its IUPAC name is N-cyclobutyl-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-methylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[(5R)-2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-cyclobutyl-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-methylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[(5R)-2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide
• PubChem CID: 159180540
• Molecular Formula: C136H173N35O19S4
• Molecular Weight: 2730.37 g/mol
• Exact Mass: 2728.25
• IUPAC Name: N-cyclobutyl-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-methylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[(5R)-2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide
• SMILES: CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1[C@@H](C)CN2.CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)C(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCC3)n1)C(C)(C)CN2
• InChI: InChI=1S/C29H37N7O4S.C28H37N7O4S.C27H35N7O4S.C26H33N7O4S.C26H31N7O3/c1-29(2)18-30-26-25(29)27(31-22-9-4-5-10-24(22)41(37,38)35-19-7-6-8-19)34-28(33-26)32-21-12-11-20(17-23(21)39-3)36-13-15-40-16-14-36;1-18(2)34-40(36,37)23-9-7-6-8-21(23)30-26-24-25(29-17-28(24,3)4)32-27(33-26)31-20-11-10-19(16-22(20)38-5)35-12-14-39-15-13-35;1-17(2)33-39(35,36)23-8-6-5-7-21(23)29-26-24-18(3)16-28-25(24)31-27(32-26)30-20-10-9-19(15-22(20)37-4)34-11-13-38-14-12-34;1-26(2)16-28-23-22(26)24(29-19-7-5-6-8-21(19)38(34,35)27-3)32-25(31-23)30-18-10-9-17(15-20(18)36-4)33-11-13-37-14-12-33;1-16-15-28-23-22(16)24(29-19-7-5-4-6-18(19)25(34)27-2)32-26(31-23)30-20-9-8-17(14-21(20)35-3)33-10-12-36-13-11-33/h4-5,9-12,17,19,35H,6-8,13-16,18H2,1-3H3,(H3,30,31,32,33,34);6-11,16,18,34H,12-15,17H2,1-5H3,(H3,29,30,31,32,33);5-10,15,17-18,33H,11-14,16H2,1-4H3,(H3,28,29,30,31,32);5-10,15,27H,11-14,16H2,1-4H3,(H3,28,29,30,31,32);4-9,14,16H,10-13,15H2,1-3H3,(H,27,34)(H3,28,29,30,31,32)/t;;;;16-/m....0/s1
• InChIKey: KMVGEROHHDQTSO-OTJANGPCSA-N
• XLogP: 19.68
• TPSA: 631.63 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 49
• Rotatable Bonds: 42
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2730.37
LogP ≤ 5	19.68
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-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-methylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[(5R)-2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide?

The IUPAC name of N-cyclobutyl-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-methylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[(5R)-2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide (CID 159180540) is N-cyclobutyl-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-methylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[(5R)-2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide.

What is the SMILES notation for N-cyclobutyl-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-methylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[(5R)-2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide?

The canonical SMILES for N-cyclobutyl-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-methylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[(5R)-2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide is CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1[C@@H](C)CN2.CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)C(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCC3)n1)C(C)(C)CN2.

What is the InChIKey of N-cyclobutyl-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-methylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[(5R)-2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide?

The InChIKey is KMVGEROHHDQTSO-OTJANGPCSA-N. The full InChI is InChI=1S/C29H37N7O4S.C28H37N7O4S.C27H35N7O4S.C26H33N7O4S.C26H31N7O3/c1-29(2)18-30-26-25(29)27(31-22-9-4-5-10-24(22)41(37,38)35-19-7-6-8-19)34-28(33-26)32-21-12-11-20(17-23(21)39-3)36-13-15-40-16-14-36;1-18(2)34-40(36,37)23-9-7-6-8-21(23)30-26-24-25(29-17-28(24,3)4)32-27(33-26)31-20-11-10-19(16-22(20)38-5)35-12-14-39-15-13-35;1-17(2)33-39(35,36)23-8-6-5-7-21(23)29-26-24-18(3)16-28-25(24)31-27(32-26)30-20-10-9-19(15-22(20)37-4)34-11-13-38-14-12-34;1-26(2)16-28-23-22(26)24(29-19-7-5-6-8-21(19)38(34,35)27-3)32-25(31-23)30-18-10-9-17(15-20(18)36-4)33-11-13-37-14-12-33;1-16-15-28-23-22(16)24(29-19-7-5-4-6-18(19)25(34)27-2)32-26(31-23)30-20-9-8-17(14-21(20)35-3)33-10-12-36-13-11-33/h4-5,9-12,17,19,35H,6-8,13-16,18H2,1-3H3,(H3,30,31,32,33,34);6-11,16,18,34H,12-15,17H2,1-5H3,(H3,29,30,31,32,33);5-10,15,17-18,33H,11-14,16H2,1-4H3,(H3,28,29,30,31,32);5-10,15,27H,11-14,16H2,1-4H3,(H3,28,29,30,31,32);4-9,14,16H,10-13,15H2,1-3H3,(H,27,34)(H3,28,29,30,31,32)/t;;;;16-/m....0/s1.

What are the key properties of N-cyclobutyl-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-methylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[(5R)-2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide?

N-cyclobutyl-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-methylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[(5R)-2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 2730.37 g/mol, XLogP of 19.68, 42 rotatable bonds, 20 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclobutyl-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-methylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[(5R)-2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 159180540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).