6-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C121H104F16N36O5 — CID 159895286

IUPAC6-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCC(C)c1nc2cc(F)ccc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.CC(C)c1nc2ccc(F)cc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.CCc1nc2ccccc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Cc1nn2ccccc2c1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(-n2c(C3CC3)nc3cc(F)ccc32)nc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C21H17F3N6O.2C21H19F3N6O.C20H18F2N6O.C19H15F3N6.C19H16F2N6O/c22-12-3-8-16-15(9-12)27-19(11-1-2-11)30(16)18-10-17(25)28-21(29-18)26-13-4-6-14(7-5-13)31-20(23)24;1-11(2)19-27-15-9-12(22)3-8-16(15)30(19)18-10-17(25)28-21(29-18)26-13-4-6-14(7-5-13)31-20(23)24;1-11(2)19-27-15-8-3-12(22)9-16(15)30(19)18-10-17(25)28-21(29-18)26-13-4-6-14(7-5-13)31-20(23)24;1-2-17-25-14-5-3-4-6-15(14)28(17)18-11-16(23)26-20(27-18)24-12-7-9-13(10-8-12)29-19(21)22;1-11-17(15-4-2-3-9-28(15)27-11)14-10-16(23)26-18(25-14)24-13-7-5-12(6-8-13)19(20,21)22;1-11-23-14-4-2-3-5-15(14)27(11)17-10-16(22)25-19(26-17)24-12-6-8-13(9-7-12)28-18(20)21/h3-11,20H,1-2H2,(H3,25,26,28,29);2*3-11,20H,1-2H3,(H3,25,26,28,29);3-11,19H,2H2,1H3,(H3,23,24,26,27);2-10H,1H3,(H3,23,24,25,26);2-10,18H,1H3,(H3,22,24,25,26)
InChIKeyNVGMPHOXFUIUCG-UHFFFAOYSA-N
MW2446.38 g/mol
LogP27.57
Rot. Bonds32

About 6-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

6-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 159895286) has the molecular formula C121H104F16N36O5 and a molecular weight of 2446.38 g/mol. Its IUPAC name is 6-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID159895286
Molecular FormulaC121H104F16N36O5
Molecular Weight2446.38 g/mol
Exact Mass2444.87
IUPAC Name6-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCC(C)c1nc2cc(F)ccc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.CC(C)c1nc2ccc(F)cc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.CCc1nc2ccccc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Cc1nn2ccccc2c1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(-n2c(C3CC3)nc3cc(F)ccc32)nc(Nc2ccc(OC(F)F)cc2)n1
InChIInChI=1S/C21H17F3N6O.2C21H19F3N6O.C20H18F2N6O.C19H15F3N6.C19H16F2N6O/c22-12-3-8-16-15(9-12)27-19(11-1-2-11)30(16)18-10-17(25)28-21(29-18)26-13-4-6-14(7-5-13)31-20(23)24;1-11(2)19-27-15-9-12(22)3-8-16(15)30(19)18-10-17(25)28-21(29-18)26-13-4-6-14(7-5-13)31-20(23)24;1-11(2)19-27-15-8-3-12(22)9-16(15)30(19)18-10-17(25)28-21(29-18)26-13-4-6-14(7-5-13)31-20(23)24;1-2-17-25-14-5-3-4-6-15(14)28(17)18-11-16(23)26-20(27-18)24-12-7-9-13(10-8-12)29-19(21)22;1-11-17(15-4-2-3-9-28(15)27-11)14-10-16(23)26-18(25-14)24-13-7-5-12(6-8-13)19(20,21)22;1-11-23-14-4-2-3-5-15(14)27(11)17-10-16(22)25-19(26-17)24-12-6-8-13(9-7-12)28-18(20)21/h3-11,20H,1-2H2,(H3,25,26,28,29);2*3-11,20H,1-2H3,(H3,25,26,28,29);3-11,19H,2H2,1H3,(H3,23,24,26,27);2-10H,1H3,(H3,23,24,25,26);2-10,18H,1H3,(H3,22,24,25,26)
InChIKeyNVGMPHOXFUIUCG-UHFFFAOYSA-N
XLogP27.57
TPSA535.53 Ų
H-Bond Donors12
H-Bond Acceptors41
Rotatable Bonds32
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002446.38
LogP ≤ 527.57
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1041

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

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Related Compounds

3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]-1-[4-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 68455634
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
N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine
CID 118095029
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
3-(2-cyclopropylbenzimidazol-1-yl)-1-oxido-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-1-ium-5-amine;N-[4-(difluoromethoxy)phenyl]-3-(2-ethylbenzimidazol-1-yl)-1-oxido-1,2,4-triazin-1-ium-5-amine
CID 122603448
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
4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-[[4-[4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 124012055
4-[4-[4-[4-[4-(difluoromethyl)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7-[[2-[1-[6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-methylpiperidin-4-yl]-4-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 130455743
N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-4-[6-[5-(6-methylpyridin-2-yl)-2-[[4-(trifluoromethoxy)anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-(trifluoromethoxy)aniline
CID 132035437
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
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
2-(Cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine
CID 157098868

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 159895286) is 6-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CC(C)c1nc2cc(F)ccc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.CC(C)c1nc2ccc(F)cc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.CCc1nc2ccccc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Cc1nn2ccccc2c1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(-n2c(C3CC3)nc3cc(F)ccc32)nc(Nc2ccc(OC(F)F)cc2)n1.
What is the InChIKey of 6-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is NVGMPHOXFUIUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O.2C21H19F3N6O.C20H18F2N6O.C19H15F3N6.C19H16F2N6O/c22-12-3-8-16-15(9-12)27-19(11-1-2-11)30(16)18-10-17(25)28-21(29-18)26-13-4-6-14(7-5-13)31-20(23)24;1-11(2)19-27-15-9-12(22)3-8-16(15)30(19)18-10-17(25)28-21(29-18)26-13-4-6-14(7-5-13)31-20(23)24;1-11(2)19-27-15-8-3-12(22)9-16(15)30(19)18-10-17(25)28-21(29-18)26-13-4-6-14(7-5-13)31-20(23)24;1-2-17-25-14-5-3-4-6-15(14)28(17)18-11-16(23)26-20(27-18)24-12-7-9-13(10-8-12)29-19(21)22;1-11-17(15-4-2-3-9-28(15)27-11)14-10-16(23)26-18(25-14)24-13-7-5-12(6-8-13)19(20,21)22;1-11-23-14-4-2-3-5-15(14)27(11)17-10-16(22)25-19(26-17)24-12-6-8-13(9-7-12)28-18(20)21/h3-11,20H,1-2H2,(H3,25,26,28,29);2*3-11,20H,1-2H3,(H3,25,26,28,29);3-11,19H,2H2,1H3,(H3,23,24,26,27);2-10H,1H3,(H3,23,24,25,26);2-10,18H,1H3,(H3,22,24,25,26).
What are the key properties of 6-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
6-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 2446.38 g/mol, XLogP of 27.57, 32 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropyl-5-fluorobenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159895286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).