N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[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-methylbenzenesulfonamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide

C135H167N35O18S3 — CID 161204675

About N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[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-methylbenzenesulfonamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide

N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[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-methylbenzenesulfonamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide (PubChem CID 161204675) has the molecular formula C135H167N35O18S3 and a molecular weight of 2664.25 g/mol. Its IUPAC name is N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[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-methylbenzenesulfonamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[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-methylbenzenesulfonamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide
• PubChem CID: 161204675
• Molecular Formula: C135H167N35O18S3
• Molecular Weight: 2664.25 g/mol
• Exact Mass: 2662.24
• IUPAC Name: N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[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-methylbenzenesulfonamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide
• SMILES: CCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)CN2.CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)CN2.CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3C(=O)N3CCCC3)n1)C(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCC3)n1)C(C)CN2
• InChI: InChI=1S/C29H35N7O3.C28H35N7O4S.C27H35N7O4S.C26H31N7O3.C25H31N7O4S/c1-19-18-30-26-25(19)27(31-22-8-4-3-7-21(22)28(37)36-11-5-6-12-36)34-29(33-26)32-23-10-9-20(17-24(23)38-2)35-13-15-39-16-14-35;1-18-17-29-26-25(18)27(30-22-8-3-4-9-24(22)40(36,37)34-19-6-5-7-19)33-28(32-26)31-21-11-10-20(16-23(21)38-2)35-12-14-39-15-13-35;1-4-11-29-39(35,36)23-8-6-5-7-21(23)30-26-24-18(2)17-28-25(24)32-27(33-26)31-20-10-9-19(16-22(20)37-3)34-12-14-38-15-13-34;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;1-16-15-27-23-22(16)24(28-19-6-4-5-7-21(19)37(33,34)26-2)31-25(30-23)29-18-9-8-17(14-20(18)35-3)32-10-12-36-13-11-32/h3-4,7-10,17,19H,5-6,11-16,18H2,1-2H3,(H3,30,31,32,33,34);3-4,8-11,16,18-19,34H,5-7,12-15,17H2,1-2H3,(H3,29,30,31,32,33);5-10,16,18,29H,4,11-15,17H2,1-3H3,(H3,28,30,31,32,33);4-9,14,16H,10-13,15H2,1-3H3,(H,27,34)(H3,28,29,30,31,32);4-9,14,16,26H,10-13,15H2,1-3H3,(H3,27,28,29,30,31)
• InChIKey: UVLACWCOJQBILM-UHFFFAOYSA-N
• XLogP: 19.71
• TPSA: 605.77 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 48
• Rotatable Bonds: 41
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2664.25
LogP ≤ 5	19.71
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[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-methylbenzenesulfonamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide?

The IUPAC name of N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[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-methylbenzenesulfonamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide (CID 161204675) is N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[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-methylbenzenesulfonamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide.

What is the SMILES notation for N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[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-methylbenzenesulfonamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide?

The canonical SMILES for N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[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-methylbenzenesulfonamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)CN2.CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)CN2.CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1C(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3C(=O)N3CCCC3)n1)C(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCC3)n1)C(C)CN2.

What is the InChIKey of N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[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-methylbenzenesulfonamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide?

The InChIKey is UVLACWCOJQBILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O3.C28H35N7O4S.C27H35N7O4S.C26H31N7O3.C25H31N7O4S/c1-19-18-30-26-25(19)27(31-22-8-4-3-7-21(22)28(37)36-11-5-6-12-36)34-29(33-26)32-23-10-9-20(17-24(23)38-2)35-13-15-39-16-14-35;1-18-17-29-26-25(18)27(30-22-8-3-4-9-24(22)40(36,37)34-19-6-5-7-19)33-28(32-26)31-21-11-10-20(16-23(21)38-2)35-12-14-39-15-13-35;1-4-11-29-39(35,36)23-8-6-5-7-21(23)30-26-24-18(2)17-28-25(24)32-27(33-26)31-20-10-9-19(16-22(20)37-3)34-12-14-38-15-13-34;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;1-16-15-27-23-22(16)24(28-19-6-4-5-7-21(19)37(33,34)26-2)31-25(30-23)29-18-9-8-17(14-20(18)35-3)32-10-12-36-13-11-32/h3-4,7-10,17,19H,5-6,11-16,18H2,1-2H3,(H3,30,31,32,33,34);3-4,8-11,16,18-19,34H,5-7,12-15,17H2,1-2H3,(H3,29,30,31,32,33);5-10,16,18,29H,4,11-15,17H2,1-3H3,(H3,28,30,31,32,33);4-9,14,16H,10-13,15H2,1-3H3,(H,27,34)(H3,28,29,30,31,32);4-9,14,16,26H,10-13,15H2,1-3H3,(H3,27,28,29,30,31).

What are the key properties of N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[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-methylbenzenesulfonamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide?

N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[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-methylbenzenesulfonamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide has a molecular weight of 2664.25 g/mol, XLogP of 19.71, 41 rotatable bonds, 19 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclobutyl-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide;2-[[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-methylbenzenesulfonamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 161204675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).