1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine)
C170H191F2N43O4S2 — CID 162242451
Data last refreshed: (MolForge compound catalog, from PubChem)
About 1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine)
1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine) (PubChem CID 162242451) has the molecular formula C170H191F2N43O4S2 and a molecular weight of 3002.82 g/mol. Its IUPAC name is 1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine).
Molecular Properties
| Compound Name | 1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine) |
|---|---|
| PubChem CID | 162242451 |
| Molecular Formula | C170H191F2N43O4S2 |
| Molecular Weight | 3002.82 g/mol |
| Exact Mass | 3000.55 |
| IUPAC Name | 1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine) |
| SMILES | C=C1C=CC(=O)N1C.Cc1cc(C)c(F)c(F)c1.Cc1cc(C)nc(C)c1.Cc1cc(C)nc(C)n1.Cc1ccc(C)nn1.Cc1cccc2cccnc12.Cc1cccc2nccnc12.Cc1cccc2nccnc12.Cc1ccnc(-c2ccccc2)n1.Cc1ccnc2cccnc12.Cc1ccnc2ncccc12.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cncc(C)c1.Cc1cncc(C)n1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)no1.Cc1nc(C)nc(C)n1.Cc1nc(C)nc(C)n1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1nsc(C)n1 |
| InChI | InChI=1S/C16H13N3.C11H10N2.C10H9N.C9H8N2O.4C9H8N2.C8H8F2.C8H11N.C7H10N2.C7H9N.2C6H9N3.4C6H8N2.C6H7NO.2C4H6N2O.2C4H6N2S/c1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-9-7-8-12-11(13-9)10-5-3-2-4-6-10;1-8-4-2-5-9-6-3-7-11-10(8)9;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-7-4-6-10-8-3-2-5-11-9(7)8;1-7-4-6-11-9-8(7)3-2-5-10-9;2*1-7-3-2-4-8-9(7)11-6-5-10-8;1-5-3-6(2)8(10)7(9)4-5;1-6-4-7(2)9-8(3)5-6;1-5-4-6(2)9-7(3)8-5;1-6-3-7(2)5-8-4-6;2*1-4-7-5(2)9-6(3)8-4;1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-5-3-4-6(8)7(5)2;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h2-11H,1H3;2-8H,1H3;2-7H,1H3;2-6H,1H3;4*2-6H,1H3;3-4H,1-2H3;4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3;2*1-3H3;4*3-4H,1-2H3;3-4H,1H2,2H3;4*1-2H3 |
| InChIKey | ZWWOTCYMSXGEHN-UHFFFAOYSA-N |
| XLogP | 36.17 |
| TPSA | 601.11 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 221 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3002.82 |
| LogP ≤ 5 | 36.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 48 |
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Sources
- PubChem CID 162242451 — identifiers, structure, computed properties (public domain)
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