C136H134N40O10S — CID 162215746
2-(2-imidazol-1-ylethoxy)-5-pyridin-2-ylpyrimidine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrimidine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrimidine;2-(2-piperidin-1-ylethoxy)-5-pyridin-2-ylpyrimidine;5-pyridin-2-yl-2-(1-pyridin-2-ylethoxy)pyrimidine;1-[2-(5-pyridin-2-ylpyrimidin-2-yl)oxyethyl]benzimidazole;1-[2-(5-pyridin-2-ylpyrimidin-2-yl)oxyethyl]piperidin-2-one;2-[(5-pyridin-2-ylpyrimidin-2-yl)oxymethyl]-1,3-thiazole;5-pyridin-2-yl-2-(2-pyrrolidin-1-ylethoxy)pyrimidine (PubChem CID 162215746) has the molecular formula C136H134N40O10S and a molecular weight of 2520.90 g/mol. Its IUPAC name is 2-(2-imidazol-1-ylethoxy)-5-pyridin-2-ylpyrimidine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrimidine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrimidine;2-(2-piperidin-1-ylethoxy)-5-pyridin-2-ylpyrimidine;5-pyridin-2-yl-2-(1-pyridin-2-ylethoxy)pyrimidine;1-[2-(5-pyridin-2-ylpyrimidin-2-yl)oxyethyl]benzimidazole;1-[2-(5-pyridin-2-ylpyrimidin-2-yl)oxyethyl]piperidin-2-one;2-[(5-pyridin-2-ylpyrimidin-2-yl)oxymethyl]-1,3-thiazole;5-pyridin-2-yl-2-(2-pyrrolidin-1-ylethoxy)pyrimidine.
| Compound Name | 2-(2-imidazol-1-ylethoxy)-5-pyridin-2-ylpyrimidine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrimidine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrimidine;2-(2-piperidin-1-ylethoxy)-5-pyridin-2-ylpyrimidine;5-pyridin-2-yl-2-(1-pyridin-2-ylethoxy)pyrimidine;1-[2-(5-pyridin-2-ylpyrimidin-2-yl)oxyethyl]benzimidazole;1-[2-(5-pyridin-2-ylpyrimidin-2-yl)oxyethyl]piperidin-2-one;2-[(5-pyridin-2-ylpyrimidin-2-yl)oxymethyl]-1,3-thiazole;5-pyridin-2-yl-2-(2-pyrrolidin-1-ylethoxy)pyrimidine |
|---|---|
| PubChem CID | 162215746 |
| Molecular Formula | C136H134N40O10S |
| Molecular Weight | 2520.90 g/mol |
| Exact Mass | 2519.09 |
| IUPAC Name | 2-(2-imidazol-1-ylethoxy)-5-pyridin-2-ylpyrimidine;2-[(1-methylimidazol-2-yl)methoxy]-5-pyridin-2-ylpyrimidine;2-[(3-methylimidazol-4-yl)methoxy]-5-pyridin-2-ylpyrimidine;2-(2-piperidin-1-ylethoxy)-5-pyridin-2-ylpyrimidine;5-pyridin-2-yl-2-(1-pyridin-2-ylethoxy)pyrimidine;1-[2-(5-pyridin-2-ylpyrimidin-2-yl)oxyethyl]benzimidazole;1-[2-(5-pyridin-2-ylpyrimidin-2-yl)oxyethyl]piperidin-2-one;2-[(5-pyridin-2-ylpyrimidin-2-yl)oxymethyl]-1,3-thiazole;5-pyridin-2-yl-2-(2-pyrrolidin-1-ylethoxy)pyrimidine |
| SMILES | CC(Oc1ncc(-c2ccccn2)cn1)c1ccccn1.Cn1ccnc1COc1ncc(-c2ccccn2)cn1.Cn1cncc1COc1ncc(-c2ccccn2)cn1.O=C1CCCCN1CCOc1ncc(-c2ccccn2)cn1.c1ccc(-c2cnc(OCCN3CCCC3)nc2)nc1.c1ccc(-c2cnc(OCCN3CCCCC3)nc2)nc1.c1ccc(-c2cnc(OCCn3ccnc3)nc2)nc1.c1ccc(-c2cnc(OCCn3cnc4ccccc43)nc2)nc1.c1ccc(-c2cnc(OCc3nccs3)nc2)nc1 |
| InChI | InChI=1S/C18H15N5O.C16H18N4O2.C16H14N4O.C16H20N4O.C15H18N4O.3C14H13N5O.C13H10N4OS/c1-2-7-17-16(6-1)22-13-23(17)9-10-24-18-20-11-14(12-21-18)15-5-3-4-8-19-15;21-15-6-2-4-8-20(15)9-10-22-16-18-11-13(12-19-16)14-5-1-3-7-17-14;1-12(14-6-2-4-8-17-14)21-16-19-10-13(11-20-16)15-7-3-5-9-18-15;1-4-8-20(9-5-1)10-11-21-16-18-12-14(13-19-16)15-6-2-3-7-17-15;1-2-6-16-14(5-1)13-11-17-15(18-12-13)20-10-9-19-7-3-4-8-19;1-19-10-15-8-12(19)9-20-14-17-6-11(7-18-14)13-4-2-3-5-16-13;1-19-7-6-16-13(19)10-20-14-17-8-11(9-18-14)12-4-2-3-5-15-12;1-2-4-16-13(3-1)12-9-17-14(18-10-12)20-8-7-19-6-5-15-11-19;1-2-4-14-11(3-1)10-7-16-13(17-8-10)18-9-12-15-5-6-19-12/h1-8,11-13H,9-10H2;1,3,5,7,11-12H,2,4,6,8-10H2;2-12H,1H3;2-3,6-7,12-13H,1,4-5,8-11H2;1-2,5-6,11-12H,3-4,7-10H2;2-8,10H,9H2,1H3;2-9H,10H2,1H3;1-6,9-11H,7-8H2;1-8H,9H2 |
| InChIKey | ZTLCJGFOBFQJPA-UHFFFAOYSA-N |
| XLogP | 20.48 |
| TPSA | 554.95 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 187 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2520.90 |
| LogP ≤ 5 | 20.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 50 |