C113H149F3N36O10S — CID 167620359
1-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-2-ol;3-[[4-amino-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]hexan-1-ol;5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine (PubChem CID 167620359) has the molecular formula C113H149F3N36O10S and a molecular weight of 2260.74 g/mol. Its IUPAC name is 1-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-2-ol;3-[[4-amino-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]hexan-1-ol;5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine.
| Compound Name | 1-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-2-ol;3-[[4-amino-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]hexan-1-ol;5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine |
|---|---|
| PubChem CID | 167620359 |
| Molecular Formula | C113H149F3N36O10S |
| Molecular Weight | 2260.74 g/mol |
| Exact Mass | 2259.19 |
| IUPAC Name | 1-[[4-amino-5-[(2-methoxy-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]butan-2-ol;3-[[4-amino-5-[(2-methylsulfanyl-5-propan-2-yl-4-pyridinyl)oxy]pyrimidin-2-yl]amino]hexan-1-ol;5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine |
| SMILES | C#Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CCC(O)CNc1ncc(Oc2cc(OC)ncc2C(C)C)c(N)n1.CCCC(CCO)Nc1ncc(Oc2cc(SC)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C(F)(F)F)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C3N=NN=N3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(N(C)C(C)C)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(N(C)C3CC3)ncc2C(C)C)c(N)n1 |
| InChI | InChI=1S/C19H29N5O2S.C17H25N5O3.C17H23N5O.C17H25N5O.C15H16N4O.C14H15F3N4O.C14H16N8O/c1-5-6-13(7-8-25)23-19-22-11-16(18(20)24-19)26-15-9-17(27-4)21-10-14(15)12(2)3;1-5-11(23)7-20-17-21-9-14(16(18)22-17)25-13-6-15(24-4)19-8-12(13)10(2)3;1-10(2)13-8-20-16(22(4)12-5-6-12)7-14(13)23-15-9-19-11(3)21-17(15)18;1-10(2)13-8-20-16(22(6)11(3)4)7-14(13)23-15-9-19-12(5)21-17(15)18;1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16;1-7(2)9-5-20-12(14(15,16)17)4-10(9)22-11-6-19-8(3)21-13(11)18;1-7(2)9-5-17-10(14-19-21-22-20-14)4-11(9)23-12-6-16-8(3)18-13(12)15/h9-13,25H,5-8H2,1-4H3,(H3,20,22,23,24);6,8-11,23H,5,7H2,1-4H3,(H3,18,20,21,22);7-10,12H,5-6H2,1-4H3,(H2,18,19,21);7-11H,1-6H3,(H2,18,19,21);1,6-9H,2-4H3,(H2,16,17,19);4-7H,1-3H3,(H2,18,19,21);4-7,14H,1-3H3,(H2,15,16,18) |
| InChIKey | MIUZRAPRFXUKMG-UHFFFAOYSA-N |
| XLogP | 23.28 |
| TPSA | 647.11 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 163 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2260.74 |
| LogP ≤ 5 | 23.28 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 47 |
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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