C131H181F9N22O8 — CID 159561606
2-cyclopropyl-5-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;ethyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 159561606) has the molecular formula C131H181F9N22O8 and a molecular weight of 2363.02 g/mol. Its IUPAC name is 2-cyclopropyl-5-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;ethyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine.
| Compound Name | 2-cyclopropyl-5-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;ethyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine |
|---|---|
| PubChem CID | 159561606 |
| Molecular Formula | C131H181F9N22O8 |
| Molecular Weight | 2363.02 g/mol |
| Exact Mass | 2361.43 |
| IUPAC Name | 2-cyclopropyl-5-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;N,5-di(propan-2-yl)pyridin-2-amine;ethyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrazine;N-methyl-5-propan-2-ylpyridin-2-amine;methyl 5-propan-2-ylpyridine-2-carboxylate;2-methyl-5-propan-2-ylpyrimidine;5-propan-2-ylpyridine-2-carboxylic acid;N-(5-propan-2-yl-2-pyridinyl)acetamide;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine |
| SMILES | CC(=O)Nc1ccc(C(C)C)cn1.CC(C)Nc1ccc(C(C)C)cn1.CC(C)c1ccc(C(=O)O)nc1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(C2CC2)nc1.CC(C)c1ccc(CO)nc1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(F)(F)F)nc1.CCOC(=O)c1ccc(C(C)C)cn1.CNc1ccc(C(C)C)cn1.COC(=O)c1ccc(C(C)C)cn1.Cc1cnc(C(C)C)cn1.Cc1ncc(C(C)C)cn1 |
| InChI | InChI=1S/C11H18N2.C11H15NO2.C11H15N.C10H14N2O.C10H16N2.C10H13NO2.C9H10F3N.C9H14N2.C9H11NO2.C9H13NO.2C8H9F3N2.2C8H12N2/c1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-4-14-11(13)10-6-5-9(7-12-10)8(2)3;1-8(2)10-5-6-11(12-7-10)9-3-4-9;1-7(2)9-4-5-10(11-6-9)12-8(3)13;1-8(2)9-5-6-10(11-7-9)12(3)4;1-7(2)8-4-5-9(11-6-8)10(12)13-3;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)8-4-5-9(10-3)11-6-8;1-6(2)7-3-4-8(9(11)12)10-5-7;1-7(2)8-3-4-9(6-11)10-5-8;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-6(2)8-4-9-7(3)10-5-8;1-6(2)8-5-9-7(3)4-10-8/h5-9H,1-4H3,(H,12,13);5-8H,4H2,1-3H3;5-9H,3-4H2,1-2H3;4-7H,1-3H3,(H,11,12,13);5-8H,1-4H3;4-7H,1-3H3;3-6H,1-2H3;4-7H,1-3H3,(H,10,11);3-6H,1-2H3,(H,11,12);3-5,7,11H,6H2,1-2H3;2*3-5H,1-2H3;2*4-6H,1-3H3 |
| InChIKey | MGROJXMRTADUBD-UHFFFAOYSA-N |
| XLogP | 33.04 |
| TPSA | 398.55 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 170 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2363.02 |
| LogP ≤ 5 | 33.04 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 28 |