2-[(2-chloro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-chloro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;2-[(2-fluoro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-fluoro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-fluoro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-methyl-6-propan-2-yloxypyrimidine;3-methyl-5-[3-methyl-4-[(5-methyl-6-propan-2-yloxypyrimidin-4-yl)methyl]phenyl]-1,2,4-oxadiazole;5-methyl-4-[[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-propan-2-yloxypyrimidine
C151H164Cl3F4N29O14S2 — CID 159062146
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[(2-chloro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-chloro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;2-[(2-fluoro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-fluoro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-fluoro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-methyl-6-propan-2-yloxypyrimidine;3-methyl-5-[3-methyl-4-[(5-methyl-6-propan-2-yloxypyrimidin-4-yl)methyl]phenyl]-1,2,4-oxadiazole;5-methyl-4-[[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-propan-2-yloxypyrimidine
SMILESCc1c(Cc2ccc(-n3cncn3)cc2F)ncnc1OC(C)C.Cc1c(Cc2ccc(S(C)(=O)=O)cc2Cl)ncnc1OC(C)C.Cc1c(Cc2ccc(S(C)(=O)=O)cc2F)ncnc1OC(C)C.Cc1nc(-n2cncn2)ccc1Cc1ncnc(OC(C)C)c1C.Cc1noc(-c2ccc(Cc3ncnc(OC(C)C)c3C)c(C)c2)n1.[C-]#[N+]c1ccc(Cc2nccc(OC(C)C)c2C)c(Cl)c1.[C-]#[N+]c1ccc(Cc2nccc(OC(C)C)c2C)c(F)c1.[C-]#[N+]c1ccc(Cc2ncnc(OC(C)C)c2C)c(Cl)c1.[C-]#[N+]c1ccc(Cc2ncnc(OC(C)C)c2C)c(F)c1
InChIInChI=1S/C19H22N4O2.C17H17ClN2O.C17H18FN5O.C17H17FN2O.C17H20N6O.C16H16ClN3O.C16H19ClN2O3S.C16H16FN3O.C16H19FN2O3S/c1-11(2)24-18-13(4)17(20-10-21-18)9-15-6-7-16(8-12(15)3)19-22-14(5)23-25-19;1-11(2)21-17-7-8-20-16(12(17)3)9-13-5-6-14(19-4)10-15(13)18;1-11(2)24-17-12(3)16(20-9-21-17)6-13-4-5-14(7-15(13)18)23-10-19-8-22-23;1-11(2)21-17-7-8-20-16(12(17)3)9-13-5-6-14(19-4)10-15(13)18;1-11(2)24-17-12(3)15(19-9-20-17)7-14-5-6-16(22-13(14)4)23-10-18-8-21-23;1-10(2)21-16-11(3)15(19-9-20-16)7-12-5-6-13(18-4)8-14(12)17;1-10(2)22-16-11(3)15(18-9-19-16)7-12-5-6-13(8-14(12)17)23(4,20)21;1-10(2)21-16-11(3)15(19-9-20-16)7-12-5-6-13(18-4)8-14(12)17;1-10(2)22-16-11(3)15(18-9-19-16)7-12-5-6-13(8-14(12)17)23(4,20)21/h6-8,10-11H,9H2,1-5H3;5-8,10-11H,9H2,1-3H3;4-5,7-11H,6H2,1-3H3;5-8,10-11H,9H2,1-3H3;5-6,8-11H,7H2,1-4H3;5-6,8-10H,7H2,1-3H3;5-6,8-10H,7H2,1-4H3;5-6,8-10H,7H2,1-3H3;5-6,8-10H,7H2,1-4H3
InChIKeyJYPJSYPEBDCXLC-UHFFFAOYSA-N
MW2855.65 g/mol
LogP32.74
Rot. Bonds41
About 2-[(2-chloro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-chloro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;2-[(2-fluoro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-fluoro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-fluoro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-methyl-6-propan-2-yloxypyrimidine;3-methyl-5-[3-methyl-4-[(5-methyl-6-propan-2-yloxypyrimidin-4-yl)methyl]phenyl]-1,2,4-oxadiazole;5-methyl-4-[[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-propan-2-yloxypyrimidine
2-[(2-chloro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-chloro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;2-[(2-fluoro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-fluoro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-fluoro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-methyl-6-propan-2-yloxypyrimidine;3-methyl-5-[3-methyl-4-[(5-methyl-6-propan-2-yloxypyrimidin-4-yl)methyl]phenyl]-1,2,4-oxadiazole;5-methyl-4-[[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-propan-2-yloxypyrimidine (PubChem CID 159062146) has the molecular formula C151H164Cl3F4N29O14S2 and a molecular weight of 2855.65 g/mol. Its IUPAC name is 2-[(2-chloro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-chloro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;2-[(2-fluoro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-fluoro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-fluoro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-methyl-6-propan-2-yloxypyrimidine;3-methyl-5-[3-methyl-4-[(5-methyl-6-propan-2-yloxypyrimidin-4-yl)methyl]phenyl]-1,2,4-oxadiazole;5-methyl-4-[[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-propan-2-yloxypyrimidine.
Molecular Properties
| Compound Name | 2-[(2-chloro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-chloro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;2-[(2-fluoro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-fluoro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-fluoro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-methyl-6-propan-2-yloxypyrimidine;3-methyl-5-[3-methyl-4-[(5-methyl-6-propan-2-yloxypyrimidin-4-yl)methyl]phenyl]-1,2,4-oxadiazole;5-methyl-4-[[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-propan-2-yloxypyrimidine |
|---|---|
| PubChem CID | 159062146 |
| Molecular Formula | C151H164Cl3F4N29O14S2 |
| Molecular Weight | 2855.65 g/mol |
| Exact Mass | 2852.15 |
| IUPAC Name | 2-[(2-chloro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-chloro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;2-[(2-fluoro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-fluoro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-fluoro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-methyl-6-propan-2-yloxypyrimidine;3-methyl-5-[3-methyl-4-[(5-methyl-6-propan-2-yloxypyrimidin-4-yl)methyl]phenyl]-1,2,4-oxadiazole;5-methyl-4-[[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-propan-2-yloxypyrimidine |
| SMILES | Cc1c(Cc2ccc(-n3cncn3)cc2F)ncnc1OC(C)C.Cc1c(Cc2ccc(S(C)(=O)=O)cc2Cl)ncnc1OC(C)C.Cc1c(Cc2ccc(S(C)(=O)=O)cc2F)ncnc1OC(C)C.Cc1nc(-n2cncn2)ccc1Cc1ncnc(OC(C)C)c1C.Cc1noc(-c2ccc(Cc3ncnc(OC(C)C)c3C)c(C)c2)n1.[C-]#[N+]c1ccc(Cc2nccc(OC(C)C)c2C)c(Cl)c1.[C-]#[N+]c1ccc(Cc2nccc(OC(C)C)c2C)c(F)c1.[C-]#[N+]c1ccc(Cc2ncnc(OC(C)C)c2C)c(Cl)c1.[C-]#[N+]c1ccc(Cc2ncnc(OC(C)C)c2C)c(F)c1 |
| InChI | InChI=1S/C19H22N4O2.C17H17ClN2O.C17H18FN5O.C17H17FN2O.C17H20N6O.C16H16ClN3O.C16H19ClN2O3S.C16H16FN3O.C16H19FN2O3S/c1-11(2)24-18-13(4)17(20-10-21-18)9-15-6-7-16(8-12(15)3)19-22-14(5)23-25-19;1-11(2)21-17-7-8-20-16(12(17)3)9-13-5-6-14(19-4)10-15(13)18;1-11(2)24-17-12(3)16(20-9-21-17)6-13-4-5-14(7-15(13)18)23-10-19-8-22-23;1-11(2)21-17-7-8-20-16(12(17)3)9-13-5-6-14(19-4)10-15(13)18;1-11(2)24-17-12(3)15(19-9-20-17)7-14-5-6-16(22-13(14)4)23-10-18-8-21-23;1-10(2)21-16-11(3)15(19-9-20-16)7-12-5-6-13(18-4)8-14(12)17;1-10(2)22-16-11(3)15(18-9-19-16)7-12-5-6-13(8-14(12)17)23(4,20)21;1-10(2)21-16-11(3)15(19-9-20-16)7-12-5-6-13(18-4)8-14(12)17;1-10(2)22-16-11(3)15(18-9-19-16)7-12-5-6-13(8-14(12)17)23(4,20)21/h6-8,10-11H,9H2,1-5H3;5-8,10-11H,9H2,1-3H3;4-5,7-11H,6H2,1-3H3;5-8,10-11H,9H2,1-3H3;5-6,8-11H,7H2,1-4H3;5-6,8-10H,7H2,1-3H3;5-6,8-10H,7H2,1-4H3;5-6,8-10H,7H2,1-3H3;5-6,8-10H,7H2,1-4H3 |
| InChIKey | JYPJSYPEBDCXLC-UHFFFAOYSA-N |
| XLogP | 32.74 |
| TPSA | 488.26 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 203 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2855.65 |
| LogP ≤ 5 | 32.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 39 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-[(2-chloro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-chloro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;2-[(2-fluoro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-fluoro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-fluoro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-methyl-6-propan-2-yloxypyrimidine;3-methyl-5-[3-methyl-4-[(5-methyl-6-propan-2-yloxypyrimidin-4-yl)methyl]phenyl]-1,2,4-oxadiazole;5-methyl-4-[[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-propan-2-yloxypyrimidine?
The IUPAC name of 2-[(2-chloro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-chloro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;2-[(2-fluoro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-fluoro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-fluoro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-methyl-6-propan-2-yloxypyrimidine;3-methyl-5-[3-methyl-4-[(5-methyl-6-propan-2-yloxypyrimidin-4-yl)methyl]phenyl]-1,2,4-oxadiazole;5-methyl-4-[[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-propan-2-yloxypyrimidine (CID 159062146) is 2-[(2-chloro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-chloro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;2-[(2-fluoro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-fluoro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-fluoro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-methyl-6-propan-2-yloxypyrimidine;3-methyl-5-[3-methyl-4-[(5-methyl-6-propan-2-yloxypyrimidin-4-yl)methyl]phenyl]-1,2,4-oxadiazole;5-methyl-4-[[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-propan-2-yloxypyrimidine.
What is the SMILES notation for 2-[(2-chloro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-chloro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;2-[(2-fluoro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-fluoro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-fluoro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-methyl-6-propan-2-yloxypyrimidine;3-methyl-5-[3-methyl-4-[(5-methyl-6-propan-2-yloxypyrimidin-4-yl)methyl]phenyl]-1,2,4-oxadiazole;5-methyl-4-[[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-propan-2-yloxypyrimidine?
The canonical SMILES for 2-[(2-chloro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-chloro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;2-[(2-fluoro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-fluoro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-fluoro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-methyl-6-propan-2-yloxypyrimidine;3-methyl-5-[3-methyl-4-[(5-methyl-6-propan-2-yloxypyrimidin-4-yl)methyl]phenyl]-1,2,4-oxadiazole;5-methyl-4-[[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-propan-2-yloxypyrimidine is Cc1c(Cc2ccc(-n3cncn3)cc2F)ncnc1OC(C)C.Cc1c(Cc2ccc(S(C)(=O)=O)cc2Cl)ncnc1OC(C)C.Cc1c(Cc2ccc(S(C)(=O)=O)cc2F)ncnc1OC(C)C.Cc1nc(-n2cncn2)ccc1Cc1ncnc(OC(C)C)c1C.Cc1noc(-c2ccc(Cc3ncnc(OC(C)C)c3C)c(C)c2)n1.[C-]#[N+]c1ccc(Cc2nccc(OC(C)C)c2C)c(Cl)c1.[C-]#[N+]c1ccc(Cc2nccc(OC(C)C)c2C)c(F)c1.[C-]#[N+]c1ccc(Cc2ncnc(OC(C)C)c2C)c(Cl)c1.[C-]#[N+]c1ccc(Cc2ncnc(OC(C)C)c2C)c(F)c1.
What is the InChIKey of 2-[(2-chloro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-chloro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;2-[(2-fluoro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-fluoro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-fluoro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-methyl-6-propan-2-yloxypyrimidine;3-methyl-5-[3-methyl-4-[(5-methyl-6-propan-2-yloxypyrimidin-4-yl)methyl]phenyl]-1,2,4-oxadiazole;5-methyl-4-[[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-propan-2-yloxypyrimidine?
The InChIKey is JYPJSYPEBDCXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.C17H17ClN2O.C17H18FN5O.C17H17FN2O.C17H20N6O.C16H16ClN3O.C16H19ClN2O3S.C16H16FN3O.C16H19FN2O3S/c1-11(2)24-18-13(4)17(20-10-21-18)9-15-6-7-16(8-12(15)3)19-22-14(5)23-25-19;1-11(2)21-17-7-8-20-16(12(17)3)9-13-5-6-14(19-4)10-15(13)18;1-11(2)24-17-12(3)16(20-9-21-17)6-13-4-5-14(7-15(13)18)23-10-19-8-22-23;1-11(2)21-17-7-8-20-16(12(17)3)9-13-5-6-14(19-4)10-15(13)18;1-11(2)24-17-12(3)15(19-9-20-17)7-14-5-6-16(22-13(14)4)23-10-18-8-21-23;1-10(2)21-16-11(3)15(19-9-20-16)7-12-5-6-13(18-4)8-14(12)17;1-10(2)22-16-11(3)15(18-9-19-16)7-12-5-6-13(8-14(12)17)23(4,20)21;1-10(2)21-16-11(3)15(19-9-20-16)7-12-5-6-13(18-4)8-14(12)17;1-10(2)22-16-11(3)15(18-9-19-16)7-12-5-6-13(8-14(12)17)23(4,20)21/h6-8,10-11H,9H2,1-5H3;5-8,10-11H,9H2,1-3H3;4-5,7-11H,6H2,1-3H3;5-8,10-11H,9H2,1-3H3;5-6,8-11H,7H2,1-4H3;5-6,8-10H,7H2,1-3H3;5-6,8-10H,7H2,1-4H3;5-6,8-10H,7H2,1-3H3;5-6,8-10H,7H2,1-4H3.
What are the key properties of 2-[(2-chloro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-chloro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;2-[(2-fluoro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-fluoro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-fluoro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-methyl-6-propan-2-yloxypyrimidine;3-methyl-5-[3-methyl-4-[(5-methyl-6-propan-2-yloxypyrimidin-4-yl)methyl]phenyl]-1,2,4-oxadiazole;5-methyl-4-[[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-propan-2-yloxypyrimidine?
2-[(2-chloro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-chloro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;2-[(2-fluoro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-fluoro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-fluoro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-methyl-6-propan-2-yloxypyrimidine;3-methyl-5-[3-methyl-4-[(5-methyl-6-propan-2-yloxypyrimidin-4-yl)methyl]phenyl]-1,2,4-oxadiazole;5-methyl-4-[[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-propan-2-yloxypyrimidine has a molecular weight of 2855.65 g/mol, XLogP of 32.74, 41 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-chloro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;2-[(2-fluoro-4-isocyanophenyl)methyl]-3-methyl-4-propan-2-yloxypyridine;4-[(2-fluoro-4-isocyanophenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[(2-fluoro-4-methylsulfonylphenyl)methyl]-5-methyl-6-propan-2-yloxypyrimidine;4-[[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]methyl]-5-methyl-6-propan-2-yloxypyrimidine;3-methyl-5-[3-methyl-4-[(5-methyl-6-propan-2-yloxypyrimidin-4-yl)methyl]phenyl]-1,2,4-oxadiazole;5-methyl-4-[[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-propan-2-yloxypyrimidine is sourced from PubChem (CID 159062146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159062146 — identifiers, structure, computed properties (public domain)
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