2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C170H125Cl5F31N57O5 — CID 163495631

IUPAC2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCc1nc2cc(Cl)ccc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)c(F)c2)n1.Cc1nc2cc(Cl)ccc2n1-c1nc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2cc(F)c(F)cc2n1-c1nc(N)cc(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2cc(F)c(F)cc2n1-c1nc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)c(F)c2)n1.Cc1nc2ccc(Cl)cc2n1-c1nc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ncc(Cl)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncc(F)cn2c1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(Nc2ccc(OC(F)F)cc2)nc(-n2c(C3CC3)nc3ncc(F)cc32)n1
InChIInChI=1S/C20H16F3N7O.2C19H13ClF4N6.2C19H15ClF2N6O.C19H13F5N6O.C19H14F4N6O.C18H13ClF3N7.C18H13F4N7/c21-11-7-14-17(25-9-11)29-18(10-1-2-10)30(14)20-27-15(24)8-16(28-20)26-12-3-5-13(6-4-12)31-19(22)23;1-9-26-14-6-10(20)2-5-15(14)30(9)18-28-16(25)8-17(29-18)27-11-3-4-12(13(21)7-11)19(22,23)24;1-9-26-14-5-2-10(20)6-15(14)30(9)18-28-16(25)8-17(29-18)27-11-3-4-12(13(21)7-11)19(22,23)24;1-10-24-14-8-11(20)2-7-15(14)28(10)19-26-16(23)9-17(27-19)25-12-3-5-13(6-4-12)29-18(21)22;1-10-24-14-7-2-11(20)8-15(14)28(10)19-26-16(23)9-17(27-19)25-12-3-5-13(6-4-12)29-18(21)22;1-8-26-13-5-10(20)11(21)6-14(13)30(8)19-28-16(25)7-17(29-19)27-9-2-3-15(12(22)4-9)31-18(23)24;1-9-25-14-6-12(20)13(21)7-15(14)29(9)19-27-16(24)8-17(28-19)26-10-2-4-11(5-3-10)30-18(22)23;1-9-25-16-13(6-11(19)8-24-16)29(9)17-27-14(23)7-15(28-17)26-12-4-2-10(3-5-12)18(20,21)22;1-9-15(29-8-11(19)7-24-17(29)25-9)16-27-13(23)6-14(28-16)26-12-4-2-10(3-5-12)18(20,21)22/h3-10,19H,1-2H2,(H3,24,26,27,28);2*2-8H,1H3,(H3,25,27,28,29);2*2-9,18H,1H3,(H3,23,25,26,27);2-7,18H,1H3,(H3,25,27,28,29);2-8,18H,1H3,(H3,24,26,27,28);2*2-8H,1H3,(H3,23,26,27,28)
InChIKeyCQKPWHYWOTVNMM-UHFFFAOYSA-N
MW3812.47 g/mol
LogP41.38
Rot. Bonds38

About 2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 163495631) has the molecular formula C170H125Cl5F31N57O5 and a molecular weight of 3812.47 g/mol. Its IUPAC name is 2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
PubChem CID163495631
Molecular FormulaC170H125Cl5F31N57O5
Molecular Weight3812.47 g/mol
Exact Mass3807.92
IUPAC Name2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
SMILESCc1nc2cc(Cl)ccc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)c(F)c2)n1.Cc1nc2cc(Cl)ccc2n1-c1nc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2cc(F)c(F)cc2n1-c1nc(N)cc(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2cc(F)c(F)cc2n1-c1nc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)c(F)c2)n1.Cc1nc2ccc(Cl)cc2n1-c1nc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ncc(Cl)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncc(F)cn2c1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(Nc2ccc(OC(F)F)cc2)nc(-n2c(C3CC3)nc3ncc(F)cc32)n1
InChIInChI=1S/C20H16F3N7O.2C19H13ClF4N6.2C19H15ClF2N6O.C19H13F5N6O.C19H14F4N6O.C18H13ClF3N7.C18H13F4N7/c21-11-7-14-17(25-9-11)29-18(10-1-2-10)30(14)20-27-15(24)8-16(28-20)26-12-3-5-13(6-4-12)31-19(22)23;1-9-26-14-6-10(20)2-5-15(14)30(9)18-28-16(25)8-17(29-18)27-11-3-4-12(13(21)7-11)19(22,23)24;1-9-26-14-5-2-10(20)6-15(14)30(9)18-28-16(25)8-17(29-18)27-11-3-4-12(13(21)7-11)19(22,23)24;1-10-24-14-8-11(20)2-7-15(14)28(10)19-26-16(23)9-17(27-19)25-12-3-5-13(6-4-12)29-18(21)22;1-10-24-14-7-2-11(20)8-15(14)28(10)19-26-16(23)9-17(27-19)25-12-3-5-13(6-4-12)29-18(21)22;1-8-26-13-5-10(20)11(21)6-14(13)30(8)19-28-16(25)7-17(29-19)27-9-2-3-15(12(22)4-9)31-18(23)24;1-9-25-14-6-12(20)13(21)7-15(14)29(9)19-27-16(24)8-17(28-19)26-10-2-4-11(5-3-10)30-18(22)23;1-9-25-16-13(6-11(19)8-24-16)29(9)17-27-14(23)7-15(28-17)26-12-4-2-10(3-5-12)18(20,21)22;1-9-15(29-8-11(19)7-24-17(29)25-9)16-27-13(23)6-14(28-16)26-12-4-2-10(3-5-12)18(20,21)22/h3-10,19H,1-2H2,(H3,24,26,27,28);2*2-8H,1H3,(H3,25,27,28,29);2*2-9,18H,1H3,(H3,23,25,26,27);2-7,18H,1H3,(H3,25,27,28,29);2-8,18H,1H3,(H3,24,26,27,28);2*2-8H,1H3,(H3,23,26,27,28)
InChIKeyCQKPWHYWOTVNMM-UHFFFAOYSA-N
XLogP41.38
TPSA819.15 Ų
H-Bond Donors18
H-Bond Acceptors62
Rotatable Bonds38
Heavy Atoms268
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003812.47
LogP ≤ 541.38
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1062

Analyze 2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 163495631) is 2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is Cc1nc2cc(Cl)ccc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)c(F)c2)n1.Cc1nc2cc(Cl)ccc2n1-c1nc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2cc(F)c(F)cc2n1-c1nc(N)cc(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2cc(F)c(F)cc2n1-c1nc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccc(Cl)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)c(F)c2)n1.Cc1nc2ccc(Cl)cc2n1-c1nc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ncc(Cl)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncc(F)cn2c1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(Nc2ccc(OC(F)F)cc2)nc(-n2c(C3CC3)nc3ncc(F)cc32)n1.
What is the InChIKey of 2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
The InChIKey is CQKPWHYWOTVNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N7O.2C19H13ClF4N6.2C19H15ClF2N6O.C19H13F5N6O.C19H14F4N6O.C18H13ClF3N7.C18H13F4N7/c21-11-7-14-17(25-9-11)29-18(10-1-2-10)30(14)20-27-15(24)8-16(28-20)26-12-3-5-13(6-4-12)31-19(22)23;1-9-26-14-6-10(20)2-5-15(14)30(9)18-28-16(25)8-17(29-18)27-11-3-4-12(13(21)7-11)19(22,23)24;1-9-26-14-5-2-10(20)6-15(14)30(9)18-28-16(25)8-17(29-18)27-11-3-4-12(13(21)7-11)19(22,23)24;1-10-24-14-8-11(20)2-7-15(14)28(10)19-26-16(23)9-17(27-19)25-12-3-5-13(6-4-12)29-18(21)22;1-10-24-14-7-2-11(20)8-15(14)28(10)19-26-16(23)9-17(27-19)25-12-3-5-13(6-4-12)29-18(21)22;1-8-26-13-5-10(20)11(21)6-14(13)30(8)19-28-16(25)7-17(29-19)27-9-2-3-15(12(22)4-9)31-18(23)24;1-9-25-14-6-12(20)13(21)7-15(14)29(9)19-27-16(24)8-17(28-19)26-10-2-4-11(5-3-10)30-18(22)23;1-9-25-16-13(6-11(19)8-24-16)29(9)17-27-14(23)7-15(28-17)26-12-4-2-10(3-5-12)18(20,21)22;1-9-15(29-8-11(19)7-24-17(29)25-9)16-27-13(23)6-14(28-16)26-12-4-2-10(3-5-12)18(20,21)22/h3-10,19H,1-2H2,(H3,24,26,27,28);2*2-8H,1H3,(H3,25,27,28,29);2*2-9,18H,1H3,(H3,23,25,26,27);2-7,18H,1H3,(H3,25,27,28,29);2-8,18H,1H3,(H3,24,26,27,28);2*2-8H,1H3,(H3,23,26,27,28).
What are the key properties of 2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?
2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 3812.47 g/mol, XLogP of 41.38, 38 rotatable bonds, 18 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;2-(5-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 163495631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).