About 5-butyl-2-[4-[4-[[4-(difluoromethoxy)-3-fluorophenoxy]-difluoromethyl]-3-fluorophenyl]-3-fluorophenyl]pyrimidine;2-[4-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-pentylpyrimidine;2-[4-[4-[difluoro-(4-fluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-(3-fluoropropyl)pyrimidine;2-[3,5-difluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]phenyl]-5-propylpyrimidine;[4-(difluoromethyl)phenyl] 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;2-[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluorophenyl]-5-(5-fluoropentyl)pyrimidine;(3-fluoro-4-methylphenyl) 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;[3-fluoro-4-(trifluoromethyl)phenyl] 4-[4-(5-butylpyrimidin-2-yl)-2,6-difluorophenyl]-2,6-difluorobenzoate;2-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]-5-pentylpyrimidine
5-butyl-2-[4-[4-[[4-(difluoromethoxy)-3-fluorophenoxy]-difluoromethyl]-3-fluorophenyl]-3-fluorophenyl]pyrimidine;2-[4-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-pentylpyrimidine;2-[4-[4-[difluoro-(4-fluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-(3-fluoropropyl)pyrimidine;2-[3,5-difluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]phenyl]-5-propylpyrimidine;[4-(difluoromethyl)phenyl] 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;2-[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluorophenyl]-5-(5-fluoropentyl)pyrimidine;(3-fluoro-4-methylphenyl) 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;[3-fluoro-4-(trifluoromethyl)phenyl] 4-[4-(5-butylpyrimidin-2-yl)-2,6-difluorophenyl]-2,6-difluorobenzoate;2-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]-5-pentylpyrimidine (PubChem CID 160836629) has the molecular formula C237H180ClF59N18O11
and a molecular weight of 4612.50 g/mol. Its IUPAC name is 5-butyl-2-[4-[4-[[4-(difluoromethoxy)-3-fluorophenoxy]-difluoromethyl]-3-fluorophenyl]-3-fluorophenyl]pyrimidine;2-[4-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-pentylpyrimidine;2-[4-[4-[difluoro-(4-fluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-(3-fluoropropyl)pyrimidine;2-[3,5-difluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]phenyl]-5-propylpyrimidine;[4-(difluoromethyl)phenyl] 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;2-[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluorophenyl]-5-(5-fluoropentyl)pyrimidine;(3-fluoro-4-methylphenyl) 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;[3-fluoro-4-(trifluoromethyl)phenyl] 4-[4-(5-butylpyrimidin-2-yl)-2,6-difluorophenyl]-2,6-difluorobenzoate;2-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]-5-pentylpyrimidine.
Frequently Asked Questions
What is the IUPAC name of 5-butyl-2-[4-[4-[[4-(difluoromethoxy)-3-fluorophenoxy]-difluoromethyl]-3-fluorophenyl]-3-fluorophenyl]pyrimidine;2-[4-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-pentylpyrimidine;2-[4-[4-[difluoro-(4-fluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-(3-fluoropropyl)pyrimidine;2-[3,5-difluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]phenyl]-5-propylpyrimidine;[4-(difluoromethyl)phenyl] 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;2-[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluorophenyl]-5-(5-fluoropentyl)pyrimidine;(3-fluoro-4-methylphenyl) 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;[3-fluoro-4-(trifluoromethyl)phenyl] 4-[4-(5-butylpyrimidin-2-yl)-2,6-difluorophenyl]-2,6-difluorobenzoate;2-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]-5-pentylpyrimidine?
The IUPAC name of 5-butyl-2-[4-[4-[[4-(difluoromethoxy)-3-fluorophenoxy]-difluoromethyl]-3-fluorophenyl]-3-fluorophenyl]pyrimidine;2-[4-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-pentylpyrimidine;2-[4-[4-[difluoro-(4-fluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-(3-fluoropropyl)pyrimidine;2-[3,5-difluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]phenyl]-5-propylpyrimidine;[4-(difluoromethyl)phenyl] 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;2-[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluorophenyl]-5-(5-fluoropentyl)pyrimidine;(3-fluoro-4-methylphenyl) 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;[3-fluoro-4-(trifluoromethyl)phenyl] 4-[4-(5-butylpyrimidin-2-yl)-2,6-difluorophenyl]-2,6-difluorobenzoate;2-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]-5-pentylpyrimidine (CID 160836629) is 5-butyl-2-[4-[4-[[4-(difluoromethoxy)-3-fluorophenoxy]-difluoromethyl]-3-fluorophenyl]-3-fluorophenyl]pyrimidine;2-[4-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-pentylpyrimidine;2-[4-[4-[difluoro-(4-fluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-(3-fluoropropyl)pyrimidine;2-[3,5-difluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]phenyl]-5-propylpyrimidine;[4-(difluoromethyl)phenyl] 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;2-[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluorophenyl]-5-(5-fluoropentyl)pyrimidine;(3-fluoro-4-methylphenyl) 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;[3-fluoro-4-(trifluoromethyl)phenyl] 4-[4-(5-butylpyrimidin-2-yl)-2,6-difluorophenyl]-2,6-difluorobenzoate;2-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]-5-pentylpyrimidine.
What is the SMILES notation for 5-butyl-2-[4-[4-[[4-(difluoromethoxy)-3-fluorophenoxy]-difluoromethyl]-3-fluorophenyl]-3-fluorophenyl]pyrimidine;2-[4-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-pentylpyrimidine;2-[4-[4-[difluoro-(4-fluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-(3-fluoropropyl)pyrimidine;2-[3,5-difluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]phenyl]-5-propylpyrimidine;[4-(difluoromethyl)phenyl] 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;2-[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluorophenyl]-5-(5-fluoropentyl)pyrimidine;(3-fluoro-4-methylphenyl) 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;[3-fluoro-4-(trifluoromethyl)phenyl] 4-[4-(5-butylpyrimidin-2-yl)-2,6-difluorophenyl]-2,6-difluorobenzoate;2-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]-5-pentylpyrimidine?
The canonical SMILES for 5-butyl-2-[4-[4-[[4-(difluoromethoxy)-3-fluorophenoxy]-difluoromethyl]-3-fluorophenyl]-3-fluorophenyl]pyrimidine;2-[4-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-pentylpyrimidine;2-[4-[4-[difluoro-(4-fluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-(3-fluoropropyl)pyrimidine;2-[3,5-difluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]phenyl]-5-propylpyrimidine;[4-(difluoromethyl)phenyl] 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;2-[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluorophenyl]-5-(5-fluoropentyl)pyrimidine;(3-fluoro-4-methylphenyl) 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;[3-fluoro-4-(trifluoromethyl)phenyl] 4-[4-(5-butylpyrimidin-2-yl)-2,6-difluorophenyl]-2,6-difluorobenzoate;2-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]-5-pentylpyrimidine is CCCCCc1cnc(-c2cc(F)c(-c3cc(F)c(C(=O)Oc4ccc(C(F)F)cc4)c(F)c3)c(F)c2)nc1.CCCCCc1cnc(-c2cc(F)c(-c3cc(F)c(C(=O)Oc4ccc(C)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCCc1cnc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4ccc(Cl)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCCc1cnc(-c2ccc(CCc3cc(F)c(F)c(F)c3)c(F)c2)nc1.CCCCc1cnc(-c2cc(F)c(-c3cc(F)c(C(=O)Oc4ccc(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCCc1cnc(-c2ccc(-c3ccc(C(F)(F)Oc4ccc(OC(F)F)c(F)c4)c(F)c3)c(F)c2)nc1.CCCc1cnc(-c2cc(F)c(CCc3ccc(C(F)(F)F)c(F)c3)c(F)c2)nc1.FCCCCCc1cnc(-c2cc(F)c(CCc3cc(F)c(OC(F)(F)F)c(F)c3)c(F)c2)nc1.FCCCc1cnc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4ccc(F)cc4)c(F)c3)c(F)c2)nc1.
What is the InChIKey of 5-butyl-2-[4-[4-[[4-(difluoromethoxy)-3-fluorophenoxy]-difluoromethyl]-3-fluorophenyl]-3-fluorophenyl]pyrimidine;2-[4-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-pentylpyrimidine;2-[4-[4-[difluoro-(4-fluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-(3-fluoropropyl)pyrimidine;2-[3,5-difluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]phenyl]-5-propylpyrimidine;[4-(difluoromethyl)phenyl] 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;2-[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluorophenyl]-5-(5-fluoropentyl)pyrimidine;(3-fluoro-4-methylphenyl) 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;[3-fluoro-4-(trifluoromethyl)phenyl] 4-[4-(5-butylpyrimidin-2-yl)-2,6-difluorophenyl]-2,6-difluorobenzoate;2-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]-5-pentylpyrimidine?
The InChIKey is SHMMGLPVXJNJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F6N2O2.C29H23F5N2O2.C28H20ClF7N2O.C28H18F8N2O2.C28H21F7N2O2.C26H16F8N2O.C24H20F8N2O.C23H22F4N2.C22H18F6N2/c1-2-3-4-5-16-14-36-28(37-15-16)19-12-21(30)25(22(31)13-19)18-10-23(32)26(24(33)11-18)29(38)39-20-8-6-17(7-9-20)27(34)35;1-3-4-5-6-17-14-35-28(36-15-17)19-11-22(31)26(23(32)12-19)18-9-24(33)27(25(34)10-18)29(37)38-20-8-7-16(2)21(30)13-20;1-2-3-4-5-15-13-37-27(38-14-15)17-10-21(31)25(22(32)11-17)16-8-23(33)26(24(34)9-16)28(35,36)39-18-6-7-19(29)20(30)12-18;1-2-3-4-14-12-37-26(38-13-14)16-9-20(30)24(21(31)10-16)15-7-22(32)25(23(33)8-15)27(39)40-17-5-6-18(19(29)11-17)28(34,35)36;1-2-3-4-16-14-36-26(37-15-16)18-5-8-20(22(29)12-18)17-6-9-21(23(30)11-17)28(34,35)39-19-7-10-25(24(31)13-19)38-27(32)33;27-7-1-2-14-12-35-25(36-13-14)16-10-19(29)23(20(30)11-16)15-8-21(31)24(22(32)9-15)26(33,34)37-18-5-3-17(28)4-6-18;25-7-3-1-2-4-15-12-33-23(34-13-15)16-10-18(26)17(19(27)11-16)6-5-14-8-20(28)22(21(29)9-14)35-24(30,31)32;1-2-3-4-5-16-13-28-23(29-14-16)18-9-8-17(19(24)12-18)7-6-15-10-20(25)22(27)21(26)11-15;1-2-3-14-11-29-21(30-12-14)15-9-18(23)16(19(24)10-15)6-4-13-5-7-17(20(25)8-13)22(26,27)28/h6-15,27H,2-5H2,1H3;7-15H,3-6H2,1-2H3;6-14H,2-5H2,1H3;5-13H,2-4H2,1H3;5-15,27H,2-4H2,1H3;3-6,8-13H,1-2,7H2;8-13H,1-7H2;8-14H,2-7H2,1H3;5,7-12H,2-4,6H2,1H3.
What are the key properties of 5-butyl-2-[4-[4-[[4-(difluoromethoxy)-3-fluorophenoxy]-difluoromethyl]-3-fluorophenyl]-3-fluorophenyl]pyrimidine;2-[4-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-pentylpyrimidine;2-[4-[4-[difluoro-(4-fluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-(3-fluoropropyl)pyrimidine;2-[3,5-difluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]phenyl]-5-propylpyrimidine;[4-(difluoromethyl)phenyl] 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;2-[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluorophenyl]-5-(5-fluoropentyl)pyrimidine;(3-fluoro-4-methylphenyl) 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;[3-fluoro-4-(trifluoromethyl)phenyl] 4-[4-(5-butylpyrimidin-2-yl)-2,6-difluorophenyl]-2,6-difluorobenzoate;2-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]-5-pentylpyrimidine?
5-butyl-2-[4-[4-[[4-(difluoromethoxy)-3-fluorophenoxy]-difluoromethyl]-3-fluorophenyl]-3-fluorophenyl]pyrimidine;2-[4-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-pentylpyrimidine;2-[4-[4-[difluoro-(4-fluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-(3-fluoropropyl)pyrimidine;2-[3,5-difluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]phenyl]-5-propylpyrimidine;[4-(difluoromethyl)phenyl] 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;2-[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluorophenyl]-5-(5-fluoropentyl)pyrimidine;(3-fluoro-4-methylphenyl) 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;[3-fluoro-4-(trifluoromethyl)phenyl] 4-[4-(5-butylpyrimidin-2-yl)-2,6-difluorophenyl]-2,6-difluorobenzoate;2-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]-5-pentylpyrimidine has a molecular weight of 4612.50 g/mol, XLogP of 68.57, 75 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[4-[4-[[4-(difluoromethoxy)-3-fluorophenoxy]-difluoromethyl]-3-fluorophenyl]-3-fluorophenyl]pyrimidine;2-[4-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-pentylpyrimidine;2-[4-[4-[difluoro-(4-fluorophenoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-5-(3-fluoropropyl)pyrimidine;2-[3,5-difluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]phenyl]-5-propylpyrimidine;[4-(difluoromethyl)phenyl] 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;2-[4-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-3,5-difluorophenyl]-5-(5-fluoropentyl)pyrimidine;(3-fluoro-4-methylphenyl) 4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,6-difluorobenzoate;[3-fluoro-4-(trifluoromethyl)phenyl] 4-[4-(5-butylpyrimidin-2-yl)-2,6-difluorophenyl]-2,6-difluorobenzoate;2-[3-fluoro-4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]-5-pentylpyrimidine is sourced from PubChem (CID 160836629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).