2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine

C86H83F8N29OS — CID 159296204

IUPAC2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(Nc2cc(-c3cccc(OC)c3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(-c3ccccc3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(-c3cccnc3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(-c3cccs3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1
InChIInChI=1S/C23H23F2N7O.C22H21F2N7.C21H20F2N8.C20H19F2N7S/c1-4-20-27-22(26-13(2)17-9-8-15(24)11-18(17)25)30-23(28-20)29-21-12-19(31-32-21)14-6-5-7-16(10-14)33-3;1-3-19-26-21(25-13(2)16-10-9-15(23)11-17(16)24)29-22(27-19)28-20-12-18(30-31-20)14-7-5-4-6-8-14;1-3-18-26-20(25-12(2)15-7-6-14(22)9-16(15)23)29-21(27-18)28-19-10-17(30-31-19)13-5-4-8-24-11-13;1-3-17-24-19(23-11(2)13-7-6-12(21)9-14(13)22)27-20(25-17)26-18-10-15(28-29-18)16-5-4-8-30-16/h5-13H,4H2,1-3H3,(H3,26,27,28,29,30,31,32);4-13H,3H2,1-2H3,(H3,25,26,27,28,29,30,31);4-12H,3H2,1-2H3,(H3,25,26,27,28,29,30,31);4-11H,3H2,1-2H3,(H3,23,24,25,26,27,28,29)
InChIKeyLATGRARSJKZIHS-UHFFFAOYSA-N
MW1722.86 g/mol
LogP19.54
Rot. Bonds29

About 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine

2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 159296204) has the molecular formula C86H83F8N29OS and a molecular weight of 1722.86 g/mol. Its IUPAC name is 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID159296204
Molecular FormulaC86H83F8N29OS
Molecular Weight1722.86 g/mol
Exact Mass1721.69
IUPAC Name2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCCc1nc(Nc2cc(-c3cccc(OC)c3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(-c3ccccc3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(-c3cccnc3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(-c3cccs3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1
InChIInChI=1S/C23H23F2N7O.C22H21F2N7.C21H20F2N8.C20H19F2N7S/c1-4-20-27-22(26-13(2)17-9-8-15(24)11-18(17)25)30-23(28-20)29-21-12-19(31-32-21)14-6-5-7-16(10-14)33-3;1-3-19-26-21(25-13(2)16-10-9-15(23)11-17(16)24)29-22(27-19)28-20-12-18(30-31-20)14-7-5-4-6-8-14;1-3-18-26-20(25-12(2)15-7-6-14(22)9-16(15)23)29-21(27-18)28-19-10-17(30-31-19)13-5-4-8-24-11-13;1-3-17-24-19(23-11(2)13-7-6-12(21)9-14(13)22)27-20(25-17)26-18-10-15(28-29-18)16-5-4-8-30-16/h5-13H,4H2,1-3H3,(H3,26,27,28,29,30,31,32);4-13H,3H2,1-2H3,(H3,25,26,27,28,29,30,31);4-12H,3H2,1-2H3,(H3,25,26,27,28,29,30,31);4-11H,3H2,1-2H3,(H3,23,24,25,26,27,28,29)
InChIKeyLATGRARSJKZIHS-UHFFFAOYSA-N
XLogP19.54
TPSA387.76 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds29
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001722.86
LogP ≤ 519.54
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Analyze 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

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-N-cyclobutyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-(4-fluorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-morpholin-4-ylpropyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[4-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 157457357
7-(2,4-Difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluoro-2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 158035203
3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[6-fluoro-5-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-pyridinyl]morpholine;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine
CID 159106309
3-[2-fluoro-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine
CID 159154801
3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[3-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-(3-morpholin-4-ylphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;4-[3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethoxy)phenyl]morpholine
CID 160645408
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;N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161310149
6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(3-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[5-methyl-4-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 161353697
3-[1-[2,3-Difluoro-4-[3-(methylamino)propoxy]phenyl]tetrazol-5-yl]-5-pyridin-4-ylpyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-(2-methoxy-4-pyridinyl)pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[3-(dimethylamino)propoxy]-2,3-difluorophenyl]tetrazol-5-yl]-5-thiophen-3-ylpyridin-2-amine
CID 157062441
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-fluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2-(4-methoxyphenyl)cyclopropane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]thiophene-3-sulfonamide;N-[2,4-difluoro-3-[[3-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-pyridinyl]amino]phenyl]propane-1-sulfonamide
CID 157069661
4-N-[1-(4-fluorophenyl)ethyl]-6-N-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(4-fluorophenyl)ethyl]-6-N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(4-fluorophenyl)ethyl]-6-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine;4-N-[1-(4-fluorophenyl)ethyl]-6-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine
CID 157145186
3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157148385

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (CID 159296204) is 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is CCc1nc(Nc2cc(-c3cccc(OC)c3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(-c3ccccc3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(-c3cccnc3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.CCc1nc(Nc2cc(-c3cccs3)[nH]n2)nc(NC(C)c2ccc(F)cc2F)n1.
What is the InChIKey of 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LATGRARSJKZIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7O.C22H21F2N7.C21H20F2N8.C20H19F2N7S/c1-4-20-27-22(26-13(2)17-9-8-15(24)11-18(17)25)30-23(28-20)29-21-12-19(31-32-21)14-6-5-7-16(10-14)33-3;1-3-19-26-21(25-13(2)16-10-9-15(23)11-17(16)24)29-22(27-19)28-20-12-18(30-31-20)14-7-5-4-6-8-14;1-3-18-26-20(25-12(2)15-7-6-14(22)9-16(15)23)29-21(27-18)28-19-10-17(30-31-19)13-5-4-8-24-11-13;1-3-17-24-19(23-11(2)13-7-6-12(21)9-14(13)22)27-20(25-17)26-18-10-15(28-29-18)16-5-4-8-30-16/h5-13H,4H2,1-3H3,(H3,26,27,28,29,30,31,32);4-13H,3H2,1-2H3,(H3,25,26,27,28,29,30,31);4-12H,3H2,1-2H3,(H3,25,26,27,28,29,30,31);4-11H,3H2,1-2H3,(H3,23,24,25,26,27,28,29).
What are the key properties of 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 1722.86 g/mol, XLogP of 19.54, 29 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-6-ethyl-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159296204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).