C152H224ClF11N34O7 — CID 159018201
2-amino-5-propan-2-ylpyridine-3-carbonitrile;3-butan-2-yloxy-5-propan-2-ylpyridin-2-amine;3-chloro-5-propan-2-ylpyridin-2-amine;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;3-cyclopropyl-5-propan-2-ylpyridin-2-amine;3-(1,1-difluoroethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-ethoxy-5-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-ylpyridin-2-amine;methane;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methyl-5-propan-2-ylpyridin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-3-propan-2-yloxypyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-3-(trifluoromethyl)pyridin-2-amine;3-propan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 159018201) has the molecular formula C152H224ClF11N34O7 and a molecular weight of 2884.13 g/mol. Its IUPAC name is 2-amino-5-propan-2-ylpyridine-3-carbonitrile;3-butan-2-yloxy-5-propan-2-ylpyridin-2-amine;3-chloro-5-propan-2-ylpyridin-2-amine;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;3-cyclopropyl-5-propan-2-ylpyridin-2-amine;3-(1,1-difluoroethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-ethoxy-5-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-ylpyridin-2-amine;methane;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methyl-5-propan-2-ylpyridin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-3-propan-2-yloxypyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-3-(trifluoromethyl)pyridin-2-amine;3-propan-2-yl-5-(trifluoromethyl)pyridine.
| Compound Name | 2-amino-5-propan-2-ylpyridine-3-carbonitrile;3-butan-2-yloxy-5-propan-2-ylpyridin-2-amine;3-chloro-5-propan-2-ylpyridin-2-amine;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;3-cyclopropyl-5-propan-2-ylpyridin-2-amine;3-(1,1-difluoroethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-ethoxy-5-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-ylpyridin-2-amine;methane;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methyl-5-propan-2-ylpyridin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-3-propan-2-yloxypyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-3-(trifluoromethyl)pyridin-2-amine;3-propan-2-yl-5-(trifluoromethyl)pyridine |
|---|---|
| PubChem CID | 159018201 |
| Molecular Formula | C152H224ClF11N34O7 |
| Molecular Weight | 2884.13 g/mol |
| Exact Mass | 2881.77 |
| IUPAC Name | 2-amino-5-propan-2-ylpyridine-3-carbonitrile;3-butan-2-yloxy-5-propan-2-ylpyridin-2-amine;3-chloro-5-propan-2-ylpyridin-2-amine;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;3-cyclopropyl-5-propan-2-ylpyridin-2-amine;3-(1,1-difluoroethoxy)-5-propan-2-ylpyridin-2-amine;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;3-ethoxy-5-propan-2-ylpyridin-2-amine;3-fluoro-5-propan-2-ylpyridin-2-amine;methane;3-methoxy-5-propan-2-ylpyridin-2-amine;3-methyl-5-propan-2-ylpyridin-2-amine;N-methyl-5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-3-propan-2-yloxypyridin-2-amine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-3-(trifluoromethyl)pyridin-2-amine;3-propan-2-yl-5-(trifluoromethyl)pyridine |
| SMILES | C.CC(C)Oc1cc(C(C)C)cnc1N.CC(C)c1cnc(N)c(C#N)c1.CC(C)c1cnc(N)c(C(F)(F)F)c1.CC(C)c1cnc(N)c(C2CC2)c1.CC(C)c1cnc(N)c(Cl)c1.CC(C)c1cnc(N)c(F)c1.CC(C)c1cnc(N)c(OC(C)(F)F)c1.CC(C)c1cnc(N)c(OC(F)F)c1.CC(C)c1cnc(N)c(OCC2CC2)c1.CC(C)c1cnc(N)nc1.CC(C)c1cncc(C(F)(F)F)c1.CCC(C)Oc1cc(C(C)C)cnc1N.CCOc1cc(C(C)C)cnc1N.CNc1ncc(C(C)C)cn1.COc1cc(C(C)C)cnc1N.Cc1cc(C(C)C)cnc1N |
| InChI | InChI=1S/C12H18N2O.C12H20N2O.C11H18N2O.C11H16N2.C10H14F2N2O.C10H16N2O.C9H11F3N2.C9H10F3N.C9H12F2N2O.C9H11N3.C9H14N2O.C9H14N2.C8H11ClN2.C8H11FN2.C8H13N3.C7H11N3.CH4/c1-8(2)10-5-11(12(13)14-6-10)15-7-9-3-4-9;1-5-9(4)15-11-6-10(8(2)3)7-14-12(11)13;1-7(2)9-5-10(14-8(3)4)11(12)13-6-9;1-7(2)9-5-10(8-3-4-8)11(12)13-6-9;1-6(2)7-4-8(9(13)14-5-7)15-10(3,11)12;1-4-13-9-5-8(7(2)3)6-12-10(9)11;1-5(2)6-3-7(9(10,11)12)8(13)14-4-6;1-6(2)7-3-8(5-13-4-7)9(10,11)12;1-5(2)6-3-7(14-9(10)11)8(12)13-4-6;1-6(2)8-3-7(4-10)9(11)12-5-8;1-6(2)7-4-8(12-3)9(10)11-5-7;1-6(2)8-4-7(3)9(10)11-5-8;2*1-5(2)6-3-7(9)8(10)11-4-6;1-6(2)7-4-10-8(9-3)11-5-7;1-5(2)6-3-9-7(8)10-4-6;/h5-6,8-9H,3-4,7H2,1-2H3,(H2,13,14);6-9H,5H2,1-4H3,(H2,13,14);5-8H,1-4H3,(H2,12,13);5-8H,3-4H2,1-2H3,(H2,12,13);4-6H,1-3H3,(H2,13,14);5-7H,4H2,1-3H3,(H2,11,12);3-5H,1-2H3,(H2,13,14);3-6H,1-2H3;3-5,9H,1-2H3,(H2,12,13);3,5-6H,1-2H3,(H2,11,12);4-6H,1-3H3,(H2,10,11);4-6H,1-3H3,(H2,10,11);2*3-5H,1-2H3,(H2,10,11);4-6H,1-3H3,(H,9,10,11);3-5H,1-2H3,(H2,8,9,10);1H4 |
| InChIKey | JTIUSKAGPWLHKF-UHFFFAOYSA-N |
| XLogP | 37.54 |
| TPSA | 696.73 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 205 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2884.13 |
| LogP ≤ 5 | 37.54 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 41 |