4-chloro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidin-2-amine;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C119H89ClF23N35O4 — CID 158036025

IUPAC4-chloro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidin-2-amine;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCc1nc2ccc(F)cc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2ccc(F)cc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2ccccc2n1-c1cc(Cl)nc(Nc2ccc(C(F)(F)F)c(F)c2)n1.Cc1nc2ccccc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(-c2c(C3CC3)nc3ccc(F)cn23)nc(Nc2ccc(OC(F)F)c(F)c2)n1.Nc1cc(-n2c(C3CC3)nc3ccc(F)cc32)nc(Nc2ccc(OC(F)F)c(F)c2)n1
InChIInChI=1S/2C21H16F4N6O.C20H16F4N6O.C19H12ClF4N5.C19H14F4N6O.C19H15F3N6/c22-11-3-6-17-30-18(10-1-2-10)19(31(17)9-11)14-8-16(26)29-21(28-14)27-12-4-5-15(13(23)7-12)32-20(24)25;22-11-3-5-14-15(7-11)31(19(28-14)10-1-2-10)18-9-17(26)29-21(30-18)27-12-4-6-16(13(23)8-12)32-20(24)25;1-2-17-27-13-5-3-10(21)7-14(13)30(17)18-9-16(25)28-20(29-18)26-11-4-6-15(12(22)8-11)31-19(23)24;1-10-25-14-4-2-3-5-15(14)29(10)17-9-16(20)27-18(28-17)26-11-6-7-12(13(21)8-11)19(22,23)24;1-9-25-13-4-2-10(20)6-14(13)29(9)17-8-16(24)27-19(28-17)26-11-3-5-15(12(21)7-11)30-18(22)23;1-11-24-14-4-2-3-5-15(14)28(11)17-10-16(23)26-18(27-17)25-13-8-6-12(7-9-13)19(20,21)22/h3-10,20H,1-2H2,(H3,26,27,28,29);3-10,20H,1-2H2,(H3,26,27,29,30);3-9,19H,2H2,1H3,(H3,25,26,28,29);2-9H,1H3,(H,26,27,28);2-8,18H,1H3,(H3,24,26,27,28);2-10H,1H3,(H3,23,25,26,27)
InChIKeyFHTFODAOFNKEGP-UHFFFAOYSA-N
MW2545.67 g/mol
LogP28.83
Rot. Bonds29

About 4-chloro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidin-2-amine;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

4-chloro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidin-2-amine;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 158036025) has the molecular formula C119H89ClF23N35O4 and a molecular weight of 2545.67 g/mol. Its IUPAC name is 4-chloro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidin-2-amine;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-chloro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidin-2-amine;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID158036025
Molecular FormulaC119H89ClF23N35O4
Molecular Weight2545.67 g/mol
Exact Mass2543.72
IUPAC Name4-chloro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidin-2-amine;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCc1nc2ccc(F)cc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2ccc(F)cc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2ccccc2n1-c1cc(Cl)nc(Nc2ccc(C(F)(F)F)c(F)c2)n1.Cc1nc2ccccc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(-c2c(C3CC3)nc3ccc(F)cn23)nc(Nc2ccc(OC(F)F)c(F)c2)n1.Nc1cc(-n2c(C3CC3)nc3ccc(F)cc32)nc(Nc2ccc(OC(F)F)c(F)c2)n1
InChIInChI=1S/2C21H16F4N6O.C20H16F4N6O.C19H12ClF4N5.C19H14F4N6O.C19H15F3N6/c22-11-3-6-17-30-18(10-1-2-10)19(31(17)9-11)14-8-16(26)29-21(28-14)27-12-4-5-15(13(23)7-12)32-20(24)25;22-11-3-5-14-15(7-11)31(19(28-14)10-1-2-10)18-9-17(26)29-21(30-18)27-12-4-6-16(13(23)8-12)32-20(24)25;1-2-17-27-13-5-3-10(21)7-14(13)30(17)18-9-16(25)28-20(29-18)26-11-4-6-15(12(22)8-11)31-19(23)24;1-10-25-14-4-2-3-5-15(14)29(10)17-9-16(20)27-18(28-17)26-11-6-7-12(13(21)8-11)19(22,23)24;1-9-25-13-4-2-10(20)6-14(13)29(9)17-8-16(24)27-19(28-17)26-11-3-5-15(12(21)7-11)30-18(22)23;1-11-24-14-4-2-3-5-15(14)28(11)17-10-16(23)26-18(27-17)25-13-8-6-12(7-9-13)19(20,21)22/h3-10,20H,1-2H2,(H3,26,27,28,29);3-10,20H,1-2H2,(H3,26,27,29,30);3-9,19H,2H2,1H3,(H3,25,26,28,29);2-9H,1H3,(H,26,27,28);2-8,18H,1H3,(H3,24,26,27,28);2-10H,1H3,(H3,23,25,26,27)
InChIKeyFHTFODAOFNKEGP-UHFFFAOYSA-N
XLogP28.83
TPSA500.28 Ų
H-Bond Donors11
H-Bond Acceptors39
Rotatable Bonds29
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002545.67
LogP ≤ 528.83
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1039

Analyze 4-chloro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidin-2-amine;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;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
N-[3-[7-[4-[2-[1-[7-[3-[2-[1-[6-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1H-imidazol-5-yl]phenyl]-6-[3-(trifluoromethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1H-imidazol-5-yl]phenyl]-4-[4-(4-methyl-5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide
CID 130455758
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
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
5-(2-cyclopropylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;5-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;N-[4-(difluoromethoxy)phenyl]-5-(6-fluoro-2-methylbenzimidazol-1-yl)-1,2,4-triazin-3-amine;6-(2-methylbenzimidazol-1-yl)-2-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 157174612
4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157197643
6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157202692
N-[4-(difluoromethoxy)phenyl]-6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazin-2-amine;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;5-N-(4-methoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazine-2,5-diamine;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157207523
N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;2-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)pyrimidin-4-amine;N-(6-methoxy-3-pyridinyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 157235959
6-(8-ethylpurin-7-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
CID 157256582

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidin-2-amine;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-chloro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidin-2-amine;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 158036025) is 4-chloro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidin-2-amine;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-chloro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidin-2-amine;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-chloro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidin-2-amine;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CCc1nc2ccc(F)cc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2ccc(F)cc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2ccccc2n1-c1cc(Cl)nc(Nc2ccc(C(F)(F)F)c(F)c2)n1.Cc1nc2ccccc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(-c2c(C3CC3)nc3ccc(F)cn23)nc(Nc2ccc(OC(F)F)c(F)c2)n1.Nc1cc(-n2c(C3CC3)nc3ccc(F)cc32)nc(Nc2ccc(OC(F)F)c(F)c2)n1.
What is the InChIKey of 4-chloro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidin-2-amine;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is FHTFODAOFNKEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H16F4N6O.C20H16F4N6O.C19H12ClF4N5.C19H14F4N6O.C19H15F3N6/c22-11-3-6-17-30-18(10-1-2-10)19(31(17)9-11)14-8-16(26)29-21(28-14)27-12-4-5-15(13(23)7-12)32-20(24)25;22-11-3-5-14-15(7-11)31(19(28-14)10-1-2-10)18-9-17(26)29-21(30-18)27-12-4-6-16(13(23)8-12)32-20(24)25;1-2-17-27-13-5-3-10(21)7-14(13)30(17)18-9-16(25)28-20(29-18)26-11-4-6-15(12(22)8-11)31-19(23)24;1-10-25-14-4-2-3-5-15(14)29(10)17-9-16(20)27-18(28-17)26-11-6-7-12(13(21)8-11)19(22,23)24;1-9-25-13-4-2-10(20)6-14(13)29(9)17-8-16(24)27-19(28-17)26-11-3-5-15(12(21)7-11)30-18(22)23;1-11-24-14-4-2-3-5-15(14)28(11)17-10-16(23)26-18(27-17)25-13-8-6-12(7-9-13)19(20,21)22/h3-10,20H,1-2H2,(H3,26,27,28,29);3-10,20H,1-2H2,(H3,26,27,29,30);3-9,19H,2H2,1H3,(H3,25,26,28,29);2-9H,1H3,(H,26,27,28);2-8,18H,1H3,(H3,24,26,27,28);2-10H,1H3,(H3,23,25,26,27).
What are the key properties of 4-chloro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidin-2-amine;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
4-chloro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidin-2-amine;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 2545.67 g/mol, XLogP of 28.83, 29 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidin-2-amine;6-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 158036025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).