2-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-[(5-morpholin-4-yl-2,3-dihydro-1,4-benzodioxin-8-yl)amino]-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-(3,4,5-trimethoxyanilino)-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide

C132H163N33O20S — CID 158464292

About 2-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-[(5-morpholin-4-yl-2,3-dihydro-1,4-benzodioxin-8-yl)amino]-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-(3,4,5-trimethoxyanilino)-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide

2-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-[(5-morpholin-4-yl-2,3-dihydro-1,4-benzodioxin-8-yl)amino]-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-(3,4,5-trimethoxyanilino)-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide (PubChem CID 158464292) has the molecular formula C132H163N33O20S and a molecular weight of 2564.03 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-[(5-morpholin-4-yl-2,3-dihydro-1,4-benzodioxin-8-yl)amino]-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-(3,4,5-trimethoxyanilino)-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-[(5-morpholin-4-yl-2,3-dihydro-1,4-benzodioxin-8-yl)amino]-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-(3,4,5-trimethoxyanilino)-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide
• PubChem CID: 158464292
• Molecular Formula: C132H163N33O20S
• Molecular Weight: 2564.03 g/mol
• Exact Mass: 2562.25
• IUPAC Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-[(5-morpholin-4-yl-2,3-dihydro-1,4-benzodioxin-8-yl)amino]-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-(3,4,5-trimethoxyanilino)-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide
• SMILES: CNC(=O)c1ccc2c(c1Nc1nc(Nc3ccc(N4CCOCC4)cc3OC)nc3c1C(C)(C)CN3)OCO2.CNC(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)nc2c1C(C)(C)CN2.CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)c3c2OCCO3)nc2c1C(C)(C)CN2.CNC(=O)c1ccccc1Nc1nc(Nc2cccc3c2OCCO3)nc2c1C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(NC3CCCCC3N(C)S(C)(=O)=O)n1)C(C)(C)CN2
• InChI: InChI=1S/C28H33N7O5.C28H33N7O4.C27H41N7O4S.C25H30N6O4.C24H26N6O3/c1-28(2)14-30-24-21(28)25(32-22-17(26(36)29-3)6-8-19-23(22)40-15-39-19)34-27(33-24)31-18-7-5-16(13-20(18)37-4)35-9-11-38-12-10-35;1-28(2)16-30-24-21(28)25(31-18-7-5-4-6-17(18)26(36)29-3)34-27(33-24)32-19-8-9-20(35-10-12-37-13-11-35)23-22(19)38-14-15-39-23;1-27(2)17-28-24-23(27)25(29-19-8-6-7-9-21(19)33(3)39(5,35)36)32-26(31-24)30-20-11-10-18(16-22(20)37-4)34-12-14-38-15-13-34;1-25(2)13-27-21-19(25)22(29-16-10-8-7-9-15(16)23(32)26-3)31-24(30-21)28-14-11-17(33-4)20(35-6)18(12-14)34-5;1-24(2)13-26-20-18(24)21(27-15-8-5-4-7-14(15)22(31)25-3)30-23(29-20)28-16-9-6-10-17-19(16)33-12-11-32-17/h5-8,13H,9-12,14-15H2,1-4H3,(H,29,36)(H3,30,31,32,33,34);4-9H,10-16H2,1-3H3,(H,29,36)(H3,30,31,32,33,34);10-11,16,19,21H,6-9,12-15,17H2,1-5H3,(H3,28,29,30,31,32);7-12H,13H2,1-6H3,(H,26,32)(H3,27,28,29,30,31);4-10H,11-13H2,1-3H3,(H,25,31)(H3,26,27,28,29,30)
• InChIKey: HFOHCBKQHMMWJU-UHFFFAOYSA-N
• XLogP: 18.47
• TPSA: 602.07 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 48
• Rotatable Bonds: 34
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2564.03
LogP ≤ 5	18.47
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	48

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-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-[(5-morpholin-4-yl-2,3-dihydro-1,4-benzodioxin-8-yl)amino]-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-(3,4,5-trimethoxyanilino)-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide?

The IUPAC name of 2-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-[(5-morpholin-4-yl-2,3-dihydro-1,4-benzodioxin-8-yl)amino]-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-(3,4,5-trimethoxyanilino)-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide (CID 158464292) is 2-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-[(5-morpholin-4-yl-2,3-dihydro-1,4-benzodioxin-8-yl)amino]-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-(3,4,5-trimethoxyanilino)-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide.

What is the SMILES notation for 2-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-[(5-morpholin-4-yl-2,3-dihydro-1,4-benzodioxin-8-yl)amino]-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-(3,4,5-trimethoxyanilino)-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide?

The canonical SMILES for 2-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-[(5-morpholin-4-yl-2,3-dihydro-1,4-benzodioxin-8-yl)amino]-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-(3,4,5-trimethoxyanilino)-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide is CNC(=O)c1ccc2c(c1Nc1nc(Nc3ccc(N4CCOCC4)cc3OC)nc3c1C(C)(C)CN3)OCO2.CNC(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)nc2c1C(C)(C)CN2.CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)c3c2OCCO3)nc2c1C(C)(C)CN2.CNC(=O)c1ccccc1Nc1nc(Nc2cccc3c2OCCO3)nc2c1C(C)(C)CN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(NC3CCCCC3N(C)S(C)(=O)=O)n1)C(C)(C)CN2.

What is the InChIKey of 2-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-[(5-morpholin-4-yl-2,3-dihydro-1,4-benzodioxin-8-yl)amino]-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-(3,4,5-trimethoxyanilino)-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide?

The InChIKey is HFOHCBKQHMMWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O5.C28H33N7O4.C27H41N7O4S.C25H30N6O4.C24H26N6O3/c1-28(2)14-30-24-21(28)25(32-22-17(26(36)29-3)6-8-19-23(22)40-15-39-19)34-27(33-24)31-18-7-5-16(13-20(18)37-4)35-9-11-38-12-10-35;1-28(2)16-30-24-21(28)25(31-18-7-5-4-6-17(18)26(36)29-3)34-27(33-24)32-19-8-9-20(35-10-12-37-13-11-35)23-22(19)38-14-15-39-23;1-27(2)17-28-24-23(27)25(29-19-8-6-7-9-21(19)33(3)39(5,35)36)32-26(31-24)30-20-11-10-18(16-22(20)37-4)34-12-14-38-15-13-34;1-25(2)13-27-21-19(25)22(29-16-10-8-7-9-15(16)23(32)26-3)31-24(30-21)28-14-11-17(33-4)20(35-6)18(12-14)34-5;1-24(2)13-26-20-18(24)21(27-15-8-5-4-7-14(15)22(31)25-3)30-23(29-20)28-16-9-6-10-17-19(16)33-12-11-32-17/h5-8,13H,9-12,14-15H2,1-4H3,(H,29,36)(H3,30,31,32,33,34);4-9H,10-16H2,1-3H3,(H,29,36)(H3,30,31,32,33,34);10-11,16,19,21H,6-9,12-15,17H2,1-5H3,(H3,28,29,30,31,32);7-12H,13H2,1-6H3,(H,26,32)(H3,27,28,29,30,31);4-10H,11-13H2,1-3H3,(H,25,31)(H3,26,27,28,29,30).

What are the key properties of 2-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-[(5-morpholin-4-yl-2,3-dihydro-1,4-benzodioxin-8-yl)amino]-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-(3,4,5-trimethoxyanilino)-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide?

2-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-[(5-morpholin-4-yl-2,3-dihydro-1,4-benzodioxin-8-yl)amino]-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-(3,4,5-trimethoxyanilino)-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 2564.03 g/mol, XLogP of 18.47, 34 rotatable bonds, 19 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-[(5-morpholin-4-yl-2,3-dihydro-1,4-benzodioxin-8-yl)amino]-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[5,5-dimethyl-2-(3,4,5-trimethoxyanilino)-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-N-methylmethanesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 158464292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).