C108H114ClFN32O8 — CID 159818849
2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine (PubChem CID 159818849) has the molecular formula C108H114ClFN32O8 and a molecular weight of 2042.77 g/mol. Its IUPAC name is 2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine.
| Compound Name | 2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine |
|---|---|
| PubChem CID | 159818849 |
| Molecular Formula | C108H114ClFN32O8 |
| Molecular Weight | 2042.77 g/mol |
| Exact Mass | 2040.92 |
| IUPAC Name | 2-chloro-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;2-N,9-dimethyl-2-N,8-N-bis(3-methylphenyl)-6-morpholin-4-ylpurine-2,8-diamine;2-(4-fluorophenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine;3-[[8-(3-methylanilino)-6-morpholin-4-yl-7H-purin-2-yl]amino]phenol;2-(4-methylphenoxy)-N-(3-methylphenyl)-6-morpholin-4-yl-7H-purin-8-amine |
| SMILES | Cc1ccc(Oc2nc(N3CCOCC3)c3[nH]c(Nc4cccc(C)c4)nc3n2)cc1.Cc1cccc(Nc2nc3c(N4CCOCC4)nc(N(C)c4cccc(C)c4)nc3n2C)c1.Cc1cccc(Nc2nc3nc(Cl)nc(N4CCOCC4)c3[nH]2)c1.Cc1cccc(Nc2nc3nc(Nc4cccc(O)c4)nc(N4CCOCC4)c3[nH]2)c1.Cc1cccc(Nc2nc3nc(Oc4ccc(F)cc4)nc(N4CCOCC4)c3[nH]2)c1 |
| InChI | InChI=1S/C25H29N7O.C23H24N6O2.C22H21FN6O2.C22H23N7O2.C16H17ClN6O/c1-17-7-5-9-19(15-17)26-24-27-21-22(31(24)4)28-25(29-23(21)32-11-13-33-14-12-32)30(3)20-10-6-8-18(2)16-20;1-15-6-8-18(9-7-15)31-23-27-20-19(21(28-23)29-10-12-30-13-11-29)25-22(26-20)24-17-5-3-4-16(2)14-17;1-14-3-2-4-16(13-14)24-21-25-18-19(26-21)27-22(31-17-7-5-15(23)6-8-17)28-20(18)29-9-11-30-12-10-29;1-14-4-2-5-15(12-14)23-21-25-18-19(26-21)27-22(24-16-6-3-7-17(30)13-16)28-20(18)29-8-10-31-11-9-29;1-10-3-2-4-11(9-10)18-16-19-12-13(21-16)20-15(17)22-14(12)23-5-7-24-8-6-23/h5-10,15-16H,11-14H2,1-4H3,(H,26,27);3-9,14H,10-13H2,1-2H3,(H2,24,25,26,27,28);2-8,13H,9-12H2,1H3,(H2,24,25,26,27,28);2-7,12-13,30H,8-11H2,1H3,(H3,23,24,25,26,27,28);2-4,9H,5-8H2,1H3,(H2,18,19,20,21,22) |
| InChIKey | NLYXNDZBHSCZFZ-UHFFFAOYSA-N |
| XLogP | 19.43 |
| TPSA | 437.90 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 150 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2042.77 |
| LogP ≤ 5 | 19.43 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 36 |