C121H170F9N45O10 — CID 165092389
(2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4,4-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 165092389) has the molecular formula C121H170F9N45O10 and a molecular weight of 2585.98 g/mol. Its IUPAC name is (2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4,4-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol.
| Compound Name | (2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4,4-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol |
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| PubChem CID | 165092389 |
| Molecular Formula | C121H170F9N45O10 |
| Molecular Weight | 2585.98 g/mol |
| Exact Mass | 2584.40 |
| IUPAC Name | (2R)-2-[(2-amino-7-ethylpyrido[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;2-amino-4-[[(2R)-1-hydroxyhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-4,4-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5,5-difluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-6-fluorohexan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]heptan-1-ol;(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhexan-1-ol;(2S)-2-[[2-amino-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol |
| SMILES | CC(C)CC[C@H](CO)Nc1nc(N)nc2cccnc12.CC(F)(F)CC[C@H](CO)Nc1nc(N)nc2cccnc12.CC(F)CC[C@H](CO)Nc1nc(N)nc2cccnc12.CCC(F)(F)C[C@H](CO)Nc1nc(N)nc2cccnc12.CCCCC[C@H](CO)Nc1nc(N)nc2cccnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(CC)cnc12.CCCC[C@H](CO)Nc1nc(N)nc2cc(O)cnc12.CCC[C@@H](CO)Nc1nc(N)nc2cc(C(F)(F)F)cnc12.Nc1nc(N[C@@H](CO)CCCCF)c2ncccc2n1 |
| InChI | InChI=1S/C15H23N5O.2C14H21N5O.C13H16F3N5O.2C13H17F2N5O.2C13H18FN5O.C13H19N5O2/c1-3-5-6-11(9-21)18-14-13-12(19-15(16)20-14)7-10(4-2)8-17-13;1-9(2)5-6-10(8-20)17-13-12-11(4-3-7-16-12)18-14(15)19-13;1-2-3-4-6-10(9-20)17-13-12-11(7-5-8-16-12)18-14(15)19-13;1-2-3-8(6-22)19-11-10-9(20-12(17)21-11)4-7(5-18-10)13(14,15)16;1-13(14,15)5-4-8(7-21)18-11-10-9(3-2-6-17-10)19-12(16)20-11;1-2-13(14,15)6-8(7-21)18-11-10-9(4-3-5-17-10)19-12(16)20-11;1-8(14)4-5-9(7-20)17-12-11-10(3-2-6-16-11)18-13(15)19-12;14-6-2-1-4-9(8-20)17-12-11-10(5-3-7-16-11)18-13(15)19-12;1-2-3-4-8(7-19)16-12-11-10(17-13(14)18-12)5-9(20)6-15-11/h7-8,11,21H,3-6,9H2,1-2H3,(H3,16,18,19,20);3-4,7,9-10,20H,5-6,8H2,1-2H3,(H3,15,17,18,19);5,7-8,10,20H,2-4,6,9H2,1H3,(H3,15,17,18,19);4-5,8,22H,2-3,6H2,1H3,(H3,17,19,20,21);2-3,6,8,21H,4-5,7H2,1H3,(H3,16,18,19,20);3-5,8,21H,2,6-7H2,1H3,(H3,16,18,19,20);2-3,6,8-9,20H,4-5,7H2,1H3,(H3,15,17,18,19);3,5,7,9,20H,1-2,4,6,8H2,(H3,15,17,18,19);5-6,8,19-20H,2-4,7H2,1H3,(H3,14,16,17,18)/t11-;2*10-;3*8-;8?,9-;9-;8-/m111011111/s1 |
| InChIKey | WXYCFJGOUHGFKN-YNZMGCEVSA-N |
| XLogP | 16.05 |
| TPSA | 892.78 Ų |
| H-Bond Donors | 28 |
| H-Bond Acceptors | 55 |
| Rotatable Bonds | 56 |
| Heavy Atoms | 185 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2585.98 |
| LogP ≤ 5 | 16.05 |
| H-Bond Donors ≤ 5 | 28 |
| H-Bond Acceptors ≤ 10 | 55 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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