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

C103H120N28O15S — CID 158460309

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

2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 158460309) has the molecular formula C103H120N28O15S and a molecular weight of 2022.34 g/mol. Its IUPAC name is 2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: 2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
• PubChem CID: 158460309
• Molecular Formula: C103H120N28O15S
• Molecular Weight: 2022.34 g/mol
• Exact Mass: 2020.92
• IUPAC Name: 2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
• SMILES: CNC(=O)c1ccc2c(c1Nc1nc(Nc3ccc(N4CCOCC4)cc3OC)nc3c1CCN3)OCO2.CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1CCN2.CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1CCN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3C(=O)N3CCCC3)n1)CCN2
• InChI: InChI=1S/C28H33N7O3.C26H29N7O5.C25H29N7O3.C24H29N7O4S/c1-37-24-18-19(34-14-16-38-17-15-34)8-9-23(24)31-28-32-25-21(10-11-29-25)26(33-28)30-22-7-3-2-6-20(22)27(36)35-12-4-5-13-35;1-27-25(34)16-4-6-19-22(38-14-37-19)21(16)30-24-17-7-8-28-23(17)31-26(32-24)29-18-5-3-15(13-20(18)35-2)33-9-11-36-12-10-33;1-26-24(33)17-5-3-4-6-19(17)28-23-18-9-10-27-22(18)30-25(31-23)29-20-8-7-16(15-21(20)34-2)32-11-13-35-14-12-32;1-25-36(32,33)21-6-4-3-5-19(21)27-23-17-9-10-26-22(17)29-24(30-23)28-18-8-7-16(15-20(18)34-2)31-11-13-35-14-12-31/h2-3,6-9,18H,4-5,10-17H2,1H3,(H3,29,30,31,32,33);3-6,13H,7-12,14H2,1-2H3,(H,27,34)(H3,28,29,30,31,32);3-8,15H,9-14H2,1-2H3,(H,26,33)(H3,27,28,29,30,31);3-8,15,25H,9-14H2,1-2H3,(H3,26,27,28,29,30)
• InChIKey: HFBXNHOVTHZWAE-UHFFFAOYSA-N
• XLogP: 12.70
• TPSA: 477.42 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 39
• Rotatable Bonds: 29
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2022.34
LogP ≤ 5	12.70
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

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

The IUPAC name of 2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone (CID 158460309) is 2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone.

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

The canonical SMILES for 2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone is CNC(=O)c1ccc2c(c1Nc1nc(Nc3ccc(N4CCOCC4)cc3OC)nc3c1CCN3)OCO2.CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1CCN2.CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)nc2c1CCN2.COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3C(=O)N3CCCC3)n1)CCN2.

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

The InChIKey is HFBXNHOVTHZWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O3.C26H29N7O5.C25H29N7O3.C24H29N7O4S/c1-37-24-18-19(34-14-16-38-17-15-34)8-9-23(24)31-28-32-25-21(10-11-29-25)26(33-28)30-22-7-3-2-6-20(22)27(36)35-12-4-5-13-35;1-27-25(34)16-4-6-19-22(38-14-37-19)21(16)30-24-17-7-8-28-23(17)31-26(32-24)29-18-5-3-15(13-20(18)35-2)33-9-11-36-12-10-33;1-26-24(33)17-5-3-4-6-19(17)28-23-18-9-10-27-22(18)30-25(31-23)29-20-8-7-16(15-21(20)34-2)32-11-13-35-14-12-32;1-25-36(32,33)21-6-4-3-5-19(21)27-23-17-9-10-26-22(17)29-24(30-23)28-18-8-7-16(15-20(18)34-2)31-11-13-35-14-12-31/h2-3,6-9,18H,4-5,10-17H2,1H3,(H3,29,30,31,32,33);3-6,13H,7-12,14H2,1-2H3,(H,27,34)(H3,28,29,30,31,32);3-8,15H,9-14H2,1-2H3,(H,26,33)(H3,27,28,29,30,31);3-8,15,25H,9-14H2,1-2H3,(H3,26,27,28,29,30).

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

2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 2022.34 g/mol, XLogP of 12.70, 29 rotatable bonds, 15 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide;4-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methyl-1,3-benzodioxole-5-carboxamide;[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 158460309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).