2-[[2-[4-(1-hydroxyethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-morpholin-4-ylethoxy)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrrolidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methyl-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide

C130H166N34O17S5 — CID 159605394

About 2-[[2-[4-(1-hydroxyethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-morpholin-4-ylethoxy)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrrolidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methyl-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide

2-[[2-[4-(1-hydroxyethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-morpholin-4-ylethoxy)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrrolidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methyl-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 159605394) has the molecular formula C130H166N34O17S5 and a molecular weight of 2637.31 g/mol. Its IUPAC name is 2-[[2-[4-(1-hydroxyethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-morpholin-4-ylethoxy)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrrolidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methyl-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-[4-(1-hydroxyethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-morpholin-4-ylethoxy)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrrolidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methyl-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide
• PubChem CID: 159605394
• Molecular Formula: C130H166N34O17S5
• Molecular Weight: 2637.31 g/mol
• Exact Mass: 2635.18
• IUPAC Name: 2-[[2-[4-(1-hydroxyethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-morpholin-4-ylethoxy)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrrolidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methyl-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(C(C)O)cc2)nc2c1CCN2.COc1cc(N2CCCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2.COc1cc(N2CCCCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2.COc1cc(OCCN2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2.Cc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2
• InChI: InChI=1S/C28H37N7O5S.C27H35N7O3S.2C26H33N7O3S.C23H28N6O3S/c1-19(2)34-41(36,37)25-7-5-4-6-23(25)30-27-21-10-11-29-26(21)32-28(33-27)31-22-9-8-20(18-24(22)38-3)40-17-14-35-12-15-39-16-13-35;1-18(2)33-38(35,36)24-10-6-5-9-22(24)29-26-20-13-14-28-25(20)31-27(32-26)30-21-12-11-19(17-23(21)37-3)34-15-7-4-8-16-34;1-17(2)32-37(34,35)23-9-5-4-8-21(23)28-25-19-12-13-27-24(19)30-26(31-25)29-20-11-10-18(16-22(20)36-3)33-14-6-7-15-33;1-17(2)32-37(34,35)23-7-5-4-6-22(23)28-25-20-10-11-27-24(20)30-26(31-25)29-21-9-8-19(16-18(21)3)33-12-14-36-15-13-33;1-14(2)29-33(31,32)20-7-5-4-6-19(20)26-22-18-12-13-24-21(18)27-23(28-22)25-17-10-8-16(9-11-17)15(3)30/h4-9,18-19,34H,10-17H2,1-3H3,(H3,29,30,31,32,33);5-6,9-12,17-18,33H,4,7-8,13-16H2,1-3H3,(H3,28,29,30,31,32);4-5,8-11,16-17,32H,6-7,12-15H2,1-3H3,(H3,27,28,29,30,31);4-9,16-17,32H,10-15H2,1-3H3,(H3,27,28,29,30,31);4-11,14-15,29-30H,12-13H2,1-3H3,(H3,24,25,26,27,28)
• InChIKey: MMABDHHPJSILKL-UHFFFAOYSA-N
• XLogP: 19.62
• TPSA: 628.77 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 46
• Rotatable Bonds: 46
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2637.31
LogP ≤ 5	19.62
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	46

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-[4-(1-hydroxyethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-morpholin-4-ylethoxy)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrrolidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methyl-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-[4-(1-hydroxyethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-morpholin-4-ylethoxy)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrrolidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methyl-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide (CID 159605394) is 2-[[2-[4-(1-hydroxyethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-morpholin-4-ylethoxy)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrrolidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methyl-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-[4-(1-hydroxyethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-morpholin-4-ylethoxy)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrrolidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methyl-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-[4-(1-hydroxyethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-morpholin-4-ylethoxy)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrrolidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methyl-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(C(C)O)cc2)nc2c1CCN2.COc1cc(N2CCCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2.COc1cc(N2CCCCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2.COc1cc(OCCN2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2.Cc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2.

What is the InChIKey of 2-[[2-[4-(1-hydroxyethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-morpholin-4-ylethoxy)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrrolidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methyl-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide?

The InChIKey is MMABDHHPJSILKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O5S.C27H35N7O3S.2C26H33N7O3S.C23H28N6O3S/c1-19(2)34-41(36,37)25-7-5-4-6-23(25)30-27-21-10-11-29-26(21)32-28(33-27)31-22-9-8-20(18-24(22)38-3)40-17-14-35-12-15-39-16-13-35;1-18(2)33-38(35,36)24-10-6-5-9-22(24)29-26-20-13-14-28-25(20)31-27(32-26)30-21-12-11-19(17-23(21)37-3)34-15-7-4-8-16-34;1-17(2)32-37(34,35)23-9-5-4-8-21(23)28-25-19-12-13-27-24(19)30-26(31-25)29-20-11-10-18(16-22(20)36-3)33-14-6-7-15-33;1-17(2)32-37(34,35)23-7-5-4-6-22(23)28-25-20-10-11-27-24(20)30-26(31-25)29-21-9-8-19(16-18(21)3)33-12-14-36-15-13-33;1-14(2)29-33(31,32)20-7-5-4-6-19(20)26-22-18-12-13-24-21(18)27-23(28-22)25-17-10-8-16(9-11-17)15(3)30/h4-9,18-19,34H,10-17H2,1-3H3,(H3,29,30,31,32,33);5-6,9-12,17-18,33H,4,7-8,13-16H2,1-3H3,(H3,28,29,30,31,32);4-5,8-11,16-17,32H,6-7,12-15H2,1-3H3,(H3,27,28,29,30,31);4-9,16-17,32H,10-15H2,1-3H3,(H3,27,28,29,30,31);4-11,14-15,29-30H,12-13H2,1-3H3,(H3,24,25,26,27,28).

What are the key properties of 2-[[2-[4-(1-hydroxyethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-morpholin-4-ylethoxy)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrrolidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methyl-4-morpholin-4-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide?

2-[[2-[4-(1-hydroxyethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-morpholin-4-ylethoxy)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrrolidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methyl-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 2637.31 g/mol, XLogP of 19.62, 46 rotatable bonds, 21 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[4-(1-hydroxyethyl)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-[2-methoxy-4-(2-morpholin-4-ylethoxy)anilino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methoxy-4-pyrrolidin-1-ylanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide;2-[[2-(2-methyl-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 159605394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).