2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(hydroxymethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-phenylbenzenesulfonamide;N-methyl-4-[[4-[2-(propan-2-ylsulfamoyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide

C124H145FN34O16S5 — CID 160606145

About 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(hydroxymethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-phenylbenzenesulfonamide;N-methyl-4-[[4-[2-(propan-2-ylsulfamoyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide

2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(hydroxymethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-phenylbenzenesulfonamide;N-methyl-4-[[4-[2-(propan-2-ylsulfamoyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 160606145) has the molecular formula C124H145FN34O16S5 and a molecular weight of 2547.08 g/mol. Its IUPAC name is 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(hydroxymethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-phenylbenzenesulfonamide;N-methyl-4-[[4-[2-(propan-2-ylsulfamoyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

• Compound Name: 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(hydroxymethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-phenylbenzenesulfonamide;N-methyl-4-[[4-[2-(propan-2-ylsulfamoyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide
• PubChem CID: 160606145
• Molecular Formula: C124H145FN34O16S5
• Molecular Weight: 2547.08 g/mol
• Exact Mass: 2545.02
• IUPAC Name: 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(hydroxymethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-phenylbenzenesulfonamide;N-methyl-4-[[4-[2-(propan-2-ylsulfamoyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide
• SMILES: CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CO)cc2)nc2c1CCN2.CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)nc2c1CCN2.CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nc2c1CCN2.CNC(=O)c1ccc(Nc2nc3c(c(Nc4ccccc4S(=O)(=O)NC(C)C)n2)CCN3)cc1.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)Nc3ccccc3)n1)CCN2
• InChI: InChI=1S/C29H31N7O4S.C25H30FN7O3S.C25H31N7O3S.C23H27N7O3S.C22H26N6O3S/c1-39-25-19-21(36-15-17-40-18-16-36)11-12-23(25)32-29-33-27-22(13-14-30-27)28(34-29)31-24-9-5-6-10-26(24)41(37,38)35-20-7-3-2-4-8-20;1-16(2)32-37(34,35)22-6-4-3-5-21(22)28-24-18-9-10-27-23(18)30-25(31-24)29-20-8-7-17(15-19(20)26)33-11-13-36-14-12-33;1-17(2)31-36(33,34)22-6-4-3-5-21(22)28-24-20-11-12-26-23(20)29-25(30-24)27-18-7-9-19(10-8-18)32-13-15-35-16-14-32;1-14(2)30-34(32,33)19-7-5-4-6-18(19)27-21-17-12-13-25-20(17)28-23(29-21)26-16-10-8-15(9-11-16)22(31)24-3;1-14(2)28-32(30,31)19-6-4-3-5-18(19)25-21-17-11-12-23-20(17)26-22(27-21)24-16-9-7-15(13-29)8-10-16/h2-12,19,35H,13-18H2,1H3,(H3,30,31,32,33,34);3-8,15-16,32H,9-14H2,1-2H3,(H3,27,28,29,30,31);3-10,17,31H,11-16H2,1-2H3,(H3,26,27,28,29,30);4-11,14,30H,12-13H2,1-3H3,(H,24,31)(H3,25,26,27,28,29);3-10,14,28-29H,11-13H2,1-2H3,(H3,23,24,25,26,27)
• InChIKey: REWVPAVPBKHQNB-UHFFFAOYSA-N
• XLogP: 17.72
• TPSA: 636.17 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 44
• Rotatable Bonds: 41
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2547.08
LogP ≤ 5	17.72
H-Bond Donors ≤ 5	22
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-fluoro-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(hydroxymethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-phenylbenzenesulfonamide;N-methyl-4-[[4-[2-(propan-2-ylsulfamoyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide?

The IUPAC name of 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(hydroxymethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-phenylbenzenesulfonamide;N-methyl-4-[[4-[2-(propan-2-ylsulfamoyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide (CID 160606145) is 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(hydroxymethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-phenylbenzenesulfonamide;N-methyl-4-[[4-[2-(propan-2-ylsulfamoyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide.

What is the SMILES notation for 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(hydroxymethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-phenylbenzenesulfonamide;N-methyl-4-[[4-[2-(propan-2-ylsulfamoyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide?

The canonical SMILES for 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(hydroxymethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-phenylbenzenesulfonamide;N-methyl-4-[[4-[2-(propan-2-ylsulfamoyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(CO)cc2)nc2c1CCN2.CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)nc2c1CCN2.CC(C)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2F)nc2c1CCN2.CNC(=O)c1ccc(Nc2nc3c(c(Nc4ccccc4S(=O)(=O)NC(C)C)n2)CCN3)cc1.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)Nc3ccccc3)n1)CCN2.

What is the InChIKey of 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(hydroxymethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-phenylbenzenesulfonamide;N-methyl-4-[[4-[2-(propan-2-ylsulfamoyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide?

The InChIKey is REWVPAVPBKHQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O4S.C25H30FN7O3S.C25H31N7O3S.C23H27N7O3S.C22H26N6O3S/c1-39-25-19-21(36-15-17-40-18-16-36)11-12-23(25)32-29-33-27-22(13-14-30-27)28(34-29)31-24-9-5-6-10-26(24)41(37,38)35-20-7-3-2-4-8-20;1-16(2)32-37(34,35)22-6-4-3-5-21(22)28-24-18-9-10-27-23(18)30-25(31-24)29-20-8-7-17(15-19(20)26)33-11-13-36-14-12-33;1-17(2)31-36(33,34)22-6-4-3-5-21(22)28-24-20-11-12-26-23(20)29-25(30-24)27-18-7-9-19(10-8-18)32-13-15-35-16-14-32;1-14(2)30-34(32,33)19-7-5-4-6-18(19)27-21-17-12-13-25-20(17)28-23(29-21)26-16-10-8-15(9-11-16)22(31)24-3;1-14(2)28-32(30,31)19-6-4-3-5-18(19)25-21-17-11-12-23-20(17)26-22(27-21)24-16-9-7-15(13-29)8-10-16/h2-12,19,35H,13-18H2,1H3,(H3,30,31,32,33,34);3-8,15-16,32H,9-14H2,1-2H3,(H3,27,28,29,30,31);3-10,17,31H,11-16H2,1-2H3,(H3,26,27,28,29,30);4-11,14,30H,12-13H2,1-3H3,(H,24,31)(H3,25,26,27,28,29);3-10,14,28-29H,11-13H2,1-2H3,(H3,23,24,25,26,27).

What are the key properties of 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(hydroxymethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-phenylbenzenesulfonamide;N-methyl-4-[[4-[2-(propan-2-ylsulfamoyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide?

2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(hydroxymethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-phenylbenzenesulfonamide;N-methyl-4-[[4-[2-(propan-2-ylsulfamoyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 2547.08 g/mol, XLogP of 17.72, 41 rotatable bonds, 22 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(2-fluoro-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[4-(hydroxymethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-phenylbenzenesulfonamide;N-methyl-4-[[4-[2-(propan-2-ylsulfamoyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;2-[[2-(4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 160606145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).