2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C116H84F28N36O2 — CID 157293772

IUPAC2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCc1nc2ccc(F)cc2n1-c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N)c1F.CCc1nc2ccccc2n1-c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N)c1F.Cc1nc2c(F)cc(F)cc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccc(F)cc2n1-c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N)c1F.Cc1nc2ccccc2n1-c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N)c1F.Nc1cc(-c2c(C(F)(F)F)nc3ccc(F)cn23)nc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C20H15F5N6.C20H16F4N6.C19H12F6N6O.C19H13F5N6.C19H14F4N6O.C19H14F4N6/c1-2-15-28-13-8-5-11(21)9-14(13)31(15)18-16(22)17(26)29-19(30-18)27-12-6-3-10(4-7-12)20(23,24)25;1-2-15-27-13-5-3-4-6-14(13)30(15)18-16(21)17(25)28-19(29-18)26-12-9-7-11(8-10-12)20(22,23)24;20-9-1-6-14-30-16(19(23,24)25)15(31(14)8-9)12-7-13(26)29-18(28-12)27-10-2-4-11(5-3-10)32-17(21)22;1-9-26-13-7-4-11(20)8-14(13)30(9)17-15(21)16(25)28-18(29-17)27-12-5-2-10(3-6-12)19(22,23)24;1-9-25-17-13(21)6-10(20)7-14(17)29(9)16-8-15(24)27-19(28-16)26-11-2-4-12(5-3-11)30-18(22)23;1-10-25-13-4-2-3-5-14(13)29(10)17-15(20)16(24)27-18(28-17)26-12-8-6-11(7-9-12)19(21,22)23/h3-9H,2H2,1H3,(H3,26,27,29,30);3-10H,2H2,1H3,(H3,25,26,28,29);1-8,17H,(H3,26,27,28,29);2-8H,1H3,(H3,25,27,28,29);2-8,18H,1H3,(H3,24,26,27,28);2-9H,1H3,(H3,24,26,27,28)
InChIKeyBBCHLEHRYPAJAC-UHFFFAOYSA-N
MW2546.14 g/mol
LogP28.42
Rot. Bonds24

About 2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 157293772) has the molecular formula C116H84F28N36O2 and a molecular weight of 2546.14 g/mol. Its IUPAC name is 2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID157293772
Molecular FormulaC116H84F28N36O2
Molecular Weight2546.14 g/mol
Exact Mass2544.71
IUPAC Name2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCc1nc2ccc(F)cc2n1-c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N)c1F.CCc1nc2ccccc2n1-c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N)c1F.Cc1nc2c(F)cc(F)cc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccc(F)cc2n1-c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N)c1F.Cc1nc2ccccc2n1-c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N)c1F.Nc1cc(-c2c(C(F)(F)F)nc3ccc(F)cn23)nc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C20H15F5N6.C20H16F4N6.C19H12F6N6O.C19H13F5N6.C19H14F4N6O.C19H14F4N6/c1-2-15-28-13-8-5-11(21)9-14(13)31(15)18-16(22)17(26)29-19(30-18)27-12-6-3-10(4-7-12)20(23,24)25;1-2-15-27-13-5-3-4-6-14(13)30(15)18-16(21)17(25)28-19(29-18)26-12-9-7-11(8-10-12)20(22,23)24;20-9-1-6-14-30-16(19(23,24)25)15(31(14)8-9)12-7-13(26)29-18(28-12)27-10-2-4-11(5-3-10)32-17(21)22;1-9-26-13-7-4-11(20)8-14(13)30(9)17-15(21)16(25)28-18(29-17)27-12-5-2-10(3-6-12)19(22,23)24;1-9-25-17-13(21)6-10(20)7-14(17)29(9)16-8-15(24)27-19(28-16)26-11-2-4-12(5-3-11)30-18(22)23;1-10-25-13-4-2-3-5-14(13)29(10)17-15(20)16(24)27-18(28-17)26-12-8-6-11(7-9-12)19(21,22)23/h3-9H,2H2,1H3,(H3,26,27,29,30);3-10H,2H2,1H3,(H3,25,26,28,29);1-8,17H,(H3,26,27,28,29);2-8H,1H3,(H3,25,27,28,29);2-8,18H,1H3,(H3,24,26,27,28);2-9H,1H3,(H3,24,26,27,28)
InChIKeyBBCHLEHRYPAJAC-UHFFFAOYSA-N
XLogP28.42
TPSA507.84 Ų
H-Bond Donors12
H-Bond Acceptors38
Rotatable Bonds24
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002546.14
LogP ≤ 528.42
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1038

Analyze 2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094917
2-[3-(Fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 118975974
N-(3-fluoro-4-methoxyphenyl)-3-[[11-[(5-fluoro-3-pyridinyl)amino]-3-[[11-[(6-fluoro-2-pyridinyl)amino]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
CID 123428579
(6S)-1-[2-(difluoromethoxy)-6-[[1-[2-(difluoromethoxy)-3-pyridinyl]-6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-3-pyridinyl]-3,6-dimethyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 153629409
4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 154975215
5-[4-[4-[2-[6-(2-ethynyl-3H-benzimidazol-5-yl)-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-4-methylpyrrolo[2,3-d]pyrimidin-7-yl]ethyl]pyrimidin-2-yl]oxy-3-fluorophenyl]-6-(6-ethynyl-4,5-dimethyl-3-pyridinyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 155310003
N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157068880
2-Isocyanato-1-methoxy-4-(trifluoromethyl)benzene;1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[3-[8-(2-pyridin-4-ylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea;3-[8-(2-pyridin-4-ylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]aniline
CID 157091313
N-[4-(difluoromethoxy)phenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine;5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)benzonitrile;[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157096462
5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylphenyl)methyl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methylpyridin-3-yl)methyl]pyrazin-2-amine
CID 157100471
N-(4-chlorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
CID 157131555
N-[(2,4-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[(2,5-difluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine
CID 157142973

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 157293772) is 2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CCc1nc2ccc(F)cc2n1-c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N)c1F.CCc1nc2ccccc2n1-c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N)c1F.Cc1nc2c(F)cc(F)cc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccc(F)cc2n1-c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N)c1F.Cc1nc2ccccc2n1-c1nc(Nc2ccc(C(F)(F)F)cc2)nc(N)c1F.Nc1cc(-c2c(C(F)(F)F)nc3ccc(F)cn23)nc(Nc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is BBCHLEHRYPAJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5N6.C20H16F4N6.C19H12F6N6O.C19H13F5N6.C19H14F4N6O.C19H14F4N6/c1-2-15-28-13-8-5-11(21)9-14(13)31(15)18-16(22)17(26)29-19(30-18)27-12-6-3-10(4-7-12)20(23,24)25;1-2-15-27-13-5-3-4-6-14(13)30(15)18-16(21)17(25)28-19(29-18)26-12-9-7-11(8-10-12)20(22,23)24;20-9-1-6-14-30-16(19(23,24)25)15(31(14)8-9)12-7-13(26)29-18(28-12)27-10-2-4-11(5-3-10)32-17(21)22;1-9-26-13-7-4-11(20)8-14(13)30(9)17-15(21)16(25)28-18(29-17)27-12-5-2-10(3-6-12)19(22,23)24;1-9-25-17-13(21)6-10(20)7-14(17)29(9)16-8-15(24)27-19(28-16)26-11-2-4-12(5-3-11)30-18(22)23;1-10-25-13-4-2-3-5-14(13)29(10)17-15(20)16(24)27-18(28-17)26-12-8-6-11(7-9-12)19(21,22)23/h3-9H,2H2,1H3,(H3,26,27,29,30);3-10H,2H2,1H3,(H3,25,26,28,29);1-8,17H,(H3,26,27,28,29);2-8H,1H3,(H3,25,27,28,29);2-8,18H,1H3,(H3,24,26,27,28);2-9H,1H3,(H3,24,26,27,28).
What are the key properties of 2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 2546.14 g/mol, XLogP of 28.42, 24 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 157293772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).