C150H216Cl2FN57O10 — CID 167681326
(2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-8-chloro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(4S)-8-aminooctan-4-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-cyclopropylpropan-1-ol;(4S)-4-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-3-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(6S)-6-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylnonan-2-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylpentan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]octan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanamide (PubChem CID 167681326) has the molecular formula C150H216Cl2FN57O10 and a molecular weight of 3067.67 g/mol. Its IUPAC name is (2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-8-chloro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(4S)-8-aminooctan-4-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-cyclopropylpropan-1-ol;(4S)-4-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-3-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(6S)-6-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylnonan-2-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylpentan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]octan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanamide.
| Compound Name | (2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-8-chloro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(4S)-8-aminooctan-4-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-cyclopropylpropan-1-ol;(4S)-4-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-3-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(6S)-6-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylnonan-2-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylpentan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]octan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanamide |
|---|---|
| PubChem CID | 167681326 |
| Molecular Formula | C150H216Cl2FN57O10 |
| Molecular Weight | 3067.67 g/mol |
| Exact Mass | 3064.75 |
| IUPAC Name | (2S)-2-[(2-amino-6-chloro-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-8-chloro-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;(2S)-2-[(2-amino-6-methylpyrido[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol;4-N-[(4S)-8-aminooctan-4-yl]pyrido[3,2-d]pyrimidine-2,4-diamine;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-3-cyclopropylpropan-1-ol;(4S)-4-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-3-one;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;(6S)-6-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylnonan-2-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4-methylpentan-1-ol;(5S)-5-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]octan-1-ol;(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]pentanamide |
| SMILES | CC(C)C[C@@H](CO)Nc1nc(N)nc2cccnc12.CCCC[C@@H](CO)Nc1nc(N)nc2cccnc12.CCC[C@@H](CCCC(C)(C)O)Nc1nc(N)nc2cccnc12.CCC[C@@H](CCCCN)Nc1nc(N)nc2cccnc12.CCC[C@@H](CCCCO)Nc1nc(N)nc2cccnc12.CCC[C@@H](CO)Nc1nc(N)nc2c(Cl)cc(C)nc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(F)c(Cl)nc12.CCC[C@@H](CO)Nc1nc(N)nc2ccc(C)nc12.CCC[C@H](Nc1nc(N)nc2cccnc12)C(=O)CC.CCC[C@H](Nc1nc(N)nc2cccnc12)C(N)=O.Nc1nc(N[C@H](CO)CC2CC2)c2ncccc2n1 |
| InChI | InChI=1S/C17H27N5O.C15H24N6.C15H23N5O.C14H19N5O.C13H18ClN5O.C13H17N5O.3C13H19N5O.C12H15ClFN5O.C12H16N6O/c1-4-7-12(8-5-10-17(2,3)23)20-15-14-13(9-6-11-19-14)21-16(18)22-15;1-2-6-11(7-3-4-9-16)19-14-13-12(8-5-10-18-13)20-15(17)21-14;1-2-6-11(7-3-4-10-21)18-14-13-12(8-5-9-17-13)19-15(16)20-14;1-3-6-9(11(20)4-2)17-13-12-10(7-5-8-16-12)18-14(15)19-13;1-3-4-8(6-20)17-12-11-10(18-13(15)19-12)9(14)5-7(2)16-11;14-13-17-10-2-1-5-15-11(10)12(18-13)16-9(7-19)6-8-3-4-8;1-8(2)6-9(7-19)16-12-11-10(4-3-5-15-11)17-13(14)18-12;1-3-4-9(7-19)16-12-11-10(17-13(14)18-12)6-5-8(2)15-11;1-2-3-5-9(8-19)16-12-11-10(6-4-7-15-11)17-13(14)18-12;1-2-3-6(5-20)16-11-9-8(17-12(15)19-11)4-7(14)10(13)18-9;1-2-4-8(10(13)19)16-11-9-7(5-3-6-15-9)17-12(14)18-11/h6,9,11-12,23H,4-5,7-8,10H2,1-3H3,(H3,18,20,21,22);5,8,10-11H,2-4,6-7,9,16H2,1H3,(H3,17,19,20,21);5,8-9,11,21H,2-4,6-7,10H2,1H3,(H3,16,18,19,20);5,7-9H,3-4,6H2,1-2H3,(H3,15,17,18,19);5,8,20H,3-4,6H2,1-2H3,(H3,15,17,18,19);1-2,5,8-9,19H,3-4,6-7H2,(H3,14,16,17,18);3-5,8-9,19H,6-7H2,1-2H3,(H3,14,16,17,18);5-6,9,19H,3-4,7H2,1-2H3,(H3,14,16,17,18);4,6-7,9,19H,2-3,5,8H2,1H3,(H3,14,16,17,18);4,6,20H,2-3,5H2,1H3,(H3,15,16,17,19);3,5-6,8H,2,4H2,1H3,(H2,13,19)(H3,14,16,17,18)/t12-;2*11-;9-;8-;4*9-;6-;8-/m00000000000/s1 |
| InChIKey | VOXBFERMIAFULZ-RCEXCFQFSA-N |
| XLogP | 20.41 |
| TPSA | 1091.94 Ų |
| H-Bond Donors | 32 |
| H-Bond Acceptors | 66 |
| Rotatable Bonds | 66 |
| Heavy Atoms | 220 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3067.67 |
| LogP ≤ 5 | 20.41 |
| H-Bond Donors ≤ 5 | 32 |
| H-Bond Acceptors ≤ 10 | 66 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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