2-N-[4-(difluoromethoxy)phenyl]-6-(5,7-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2,6-dimethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C118H93F23N36O3 — CID 159869831

IUPAC2-N-[4-(difluoromethoxy)phenyl]-6-(5,7-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2,6-dimethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(N)cc(-n3c(C)nc4c(F)cccc43)n2)ccc1C(F)(F)F.Cc1ccc2nc(C)n(-c3cc(N)nc(Nc4ccc(C(F)(F)F)c(C)c4)n3)c2c1.Cc1ccc2nc(C)n(-c3cc(N)nc(Nc4ccc(OC(F)F)cc4)n3)c2c1.Cc1nc2c(F)cccc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2cc(F)cc(F)c2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Nc1cc(-c2c(C(F)(F)F)nc3ccc(F)cn23)nc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H19F3N6.C20H16F4N6.C20H18F2N6O.C19H11F7N6.C19H14F4N6O.C19H15F3N6O/c1-11-4-7-16-17(8-11)30(13(3)26-16)19-10-18(25)28-20(29-19)27-14-5-6-15(12(2)9-14)21(22,23)24;1-10-8-12(6-7-13(10)20(22,23)24)27-19-28-16(25)9-17(29-19)30-11(2)26-18-14(21)4-3-5-15(18)30;1-11-3-8-15-16(9-11)28(12(2)24-15)18-10-17(23)26-20(27-18)25-13-4-6-14(7-5-13)29-19(21)22;20-10-3-6-14-31-16(19(24,25)26)15(32(14)8-10)12-7-13(27)30-17(29-12)28-11-4-1-9(2-5-11)18(21,22)23;1-9-25-14-7-10(20)6-13(21)17(14)29(9)16-8-15(24)27-19(28-16)26-11-2-4-12(5-3-11)30-18(22)23;1-10-24-17-13(20)3-2-4-14(17)28(10)16-9-15(23)26-19(27-16)25-11-5-7-12(8-6-11)29-18(21)22/h4-10H,1-3H3,(H3,25,27,28,29);3-9H,1-2H3,(H3,25,27,28,29);3-10,19H,1-2H3,(H3,23,25,26,27);1-8H,(H3,27,28,29,30);2-8,18H,1H3,(H3,24,26,27,28);2-9,18H,1H3,(H3,23,25,26,27)
InChIKeyNSEVXOFZLLQHDU-UHFFFAOYSA-N
MW2500.24 g/mol
LogP28.17
Rot. Bonds24

About 2-N-[4-(difluoromethoxy)phenyl]-6-(5,7-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2,6-dimethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

2-N-[4-(difluoromethoxy)phenyl]-6-(5,7-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2,6-dimethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 159869831) has the molecular formula C118H93F23N36O3 and a molecular weight of 2500.24 g/mol. Its IUPAC name is 2-N-[4-(difluoromethoxy)phenyl]-6-(5,7-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2,6-dimethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(difluoromethoxy)phenyl]-6-(5,7-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2,6-dimethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID159869831
Molecular FormulaC118H93F23N36O3
Molecular Weight2500.24 g/mol
Exact Mass2498.79
IUPAC Name2-N-[4-(difluoromethoxy)phenyl]-6-(5,7-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2,6-dimethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(N)cc(-n3c(C)nc4c(F)cccc43)n2)ccc1C(F)(F)F.Cc1ccc2nc(C)n(-c3cc(N)nc(Nc4ccc(C(F)(F)F)c(C)c4)n3)c2c1.Cc1ccc2nc(C)n(-c3cc(N)nc(Nc4ccc(OC(F)F)cc4)n3)c2c1.Cc1nc2c(F)cccc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2cc(F)cc(F)c2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Nc1cc(-c2c(C(F)(F)F)nc3ccc(F)cn23)nc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C21H19F3N6.C20H16F4N6.C20H18F2N6O.C19H11F7N6.C19H14F4N6O.C19H15F3N6O/c1-11-4-7-16-17(8-11)30(13(3)26-16)19-10-18(25)28-20(29-19)27-14-5-6-15(12(2)9-14)21(22,23)24;1-10-8-12(6-7-13(10)20(22,23)24)27-19-28-16(25)9-17(29-19)30-11(2)26-18-14(21)4-3-5-15(18)30;1-11-3-8-15-16(9-11)28(12(2)24-15)18-10-17(23)26-20(27-18)25-13-4-6-14(7-5-13)29-19(21)22;20-10-3-6-14-31-16(19(24,25)26)15(32(14)8-10)12-7-13(27)30-17(29-12)28-11-4-1-9(2-5-11)18(21,22)23;1-9-25-14-7-10(20)6-13(21)17(14)29(9)16-8-15(24)27-19(28-16)26-11-2-4-12(5-3-11)30-18(22)23;1-10-24-17-13(20)3-2-4-14(17)28(10)16-9-15(23)26-19(27-16)25-11-5-7-12(8-6-11)29-18(21)22/h4-10H,1-3H3,(H3,25,27,28,29);3-9H,1-2H3,(H3,25,27,28,29);3-10,19H,1-2H3,(H3,23,25,26,27);1-8H,(H3,27,28,29,30);2-8,18H,1H3,(H3,24,26,27,28);2-9,18H,1H3,(H3,23,25,26,27)
InChIKeyNSEVXOFZLLQHDU-UHFFFAOYSA-N
XLogP28.17
TPSA517.07 Ų
H-Bond Donors12
H-Bond Acceptors39
Rotatable Bonds24
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002500.24
LogP ≤ 528.17
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1039

Analyze 2-N-[4-(difluoromethoxy)phenyl]-6-(5,7-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2,6-dimethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

6-[1-[3,5-difluoro-4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]-2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrol-3-yl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 68279017
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
7-fluoro-9-N-[7-fluoro-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]imidazo[1,2-c]quinazolin-5-yl]-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]imidazo[1,2-c]quinazoline-5,9-diamine
CID 138721241
2-(benzimidazol-1-yl)-7-[(5S)-5-[5-(6-fluorobenzimidazol-1-yl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-5-methyl-7,8-dihydro-6H-quinolin-7-yl]-9-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)purin-8-one
CID 143306686
N-[4-[2-[4-[[4-[2-[2-(2-acetamidopyridin-4-yl)oxy-8-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]purin-7-yl]ethyl]piperazin-1-yl]methyl]-3-(trifluoromethyl)anilino]-3-methylimidazo[4,5-b]pyridin-5-yl]oxypyridin-2-yl]acetamide
CID 153583794
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

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(difluoromethoxy)phenyl]-6-(5,7-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2,6-dimethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(difluoromethoxy)phenyl]-6-(5,7-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2,6-dimethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 159869831) is 2-N-[4-(difluoromethoxy)phenyl]-6-(5,7-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2,6-dimethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(difluoromethoxy)phenyl]-6-(5,7-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2,6-dimethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(difluoromethoxy)phenyl]-6-(5,7-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2,6-dimethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is Cc1cc(Nc2nc(N)cc(-n3c(C)nc4c(F)cccc43)n2)ccc1C(F)(F)F.Cc1ccc2nc(C)n(-c3cc(N)nc(Nc4ccc(C(F)(F)F)c(C)c4)n3)c2c1.Cc1ccc2nc(C)n(-c3cc(N)nc(Nc4ccc(OC(F)F)cc4)n3)c2c1.Cc1nc2c(F)cccc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2cc(F)cc(F)c2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Nc1cc(-c2c(C(F)(F)F)nc3ccc(F)cn23)nc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-N-[4-(difluoromethoxy)phenyl]-6-(5,7-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2,6-dimethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is NSEVXOFZLLQHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6.C20H16F4N6.C20H18F2N6O.C19H11F7N6.C19H14F4N6O.C19H15F3N6O/c1-11-4-7-16-17(8-11)30(13(3)26-16)19-10-18(25)28-20(29-19)27-14-5-6-15(12(2)9-14)21(22,23)24;1-10-8-12(6-7-13(10)20(22,23)24)27-19-28-16(25)9-17(29-19)30-11(2)26-18-14(21)4-3-5-15(18)30;1-11-3-8-15-16(9-11)28(12(2)24-15)18-10-17(23)26-20(27-18)25-13-4-6-14(7-5-13)29-19(21)22;20-10-3-6-14-31-16(19(24,25)26)15(32(14)8-10)12-7-13(27)30-17(29-12)28-11-4-1-9(2-5-11)18(21,22)23;1-9-25-14-7-10(20)6-13(21)17(14)29(9)16-8-15(24)27-19(28-16)26-11-2-4-12(5-3-11)30-18(22)23;1-10-24-17-13(20)3-2-4-14(17)28(10)16-9-15(23)26-19(27-16)25-11-5-7-12(8-6-11)29-18(21)22/h4-10H,1-3H3,(H3,25,27,28,29);3-9H,1-2H3,(H3,25,27,28,29);3-10,19H,1-2H3,(H3,23,25,26,27);1-8H,(H3,27,28,29,30);2-8,18H,1H3,(H3,24,26,27,28);2-9,18H,1H3,(H3,23,25,26,27).
What are the key properties of 2-N-[4-(difluoromethoxy)phenyl]-6-(5,7-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2,6-dimethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
2-N-[4-(difluoromethoxy)phenyl]-6-(5,7-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2,6-dimethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 2500.24 g/mol, XLogP of 28.17, 24 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(difluoromethoxy)phenyl]-6-(5,7-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2,6-dimethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[3-methyl-4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159869831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).