2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(3-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine

C196H185FN58O10S3 — CID 158169734

IUPAC2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(3-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine
SMILESCCOc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.CCc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.CSc1nc(N)cc(Oc2cccc(-c3nc(Nc4ccc(F)c(C)c4)n[nH]3)c2)n1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(C)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(SC(C)(C)C)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(SC(C)(C)C)nc(N)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc5cc(C)ccc45)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cncc5ccccc45)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cncnc4)c3)n2)c1
InChIInChI=1S/C25H21N5O.C24H19N5O.2C23H25N7OS.C21H21N7O2.C21H21N7O.C20H18FN7OS.C20H19N7O.C19H16N6O/c1-16-5-3-7-19(13-16)27-25-28-24(29-30-25)18-6-4-8-20(15-18)31-23-11-12-26-22-14-17(2)9-10-21(22)23;1-16-6-4-9-19(12-16)26-24-27-23(28-29-24)17-8-5-10-20(13-17)30-22-15-25-14-18-7-2-3-11-21(18)22;1-14-7-5-9-16(11-14)25-22-28-20(29-30-22)15-8-6-10-17(12-15)31-18-13-19(27-21(24)26-18)32-23(2,3)4;1-14-7-5-9-16(11-14)25-21-28-20(29-30-21)15-8-6-10-17(12-15)31-19-13-18(24)26-22(27-19)32-23(2,3)4;1-3-29-21-24-17(22)12-18(25-21)30-16-9-5-7-14(11-16)19-26-20(28-27-19)23-15-8-4-6-13(2)10-15;1-3-18-24-17(22)12-19(25-18)29-16-9-5-7-14(11-16)20-26-21(28-27-20)23-15-8-4-6-13(2)10-15;1-11-8-13(6-7-15(11)21)23-19-26-18(27-28-19)12-4-3-5-14(9-12)29-17-10-16(22)24-20(25-17)30-2;1-12-5-3-7-15(9-12)24-20-25-19(26-27-20)14-6-4-8-16(10-14)28-18-11-17(21)22-13(2)23-18;1-13-4-2-6-15(8-13)22-19-23-18(24-25-19)14-5-3-7-16(9-14)26-17-10-20-12-21-11-17/h3-15H,1-2H3,(H2,27,28,29,30);2-15H,1H3,(H2,26,27,28,29);2*5-13H,1-4H3,(H2,24,26,27)(H2,25,28,29,30);4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);3-10H,1-2H3,(H2,22,24,25)(H2,23,26,27,28);3-11H,1-2H3,(H2,21,22,23)(H2,24,25,26,27);2-12H,1H3,(H2,22,23,24,25)
InChIKeyFXHMQIBXFGOOJK-UHFFFAOYSA-N
MW3628.23 g/mol
LogP44.18
Rot. Bonds51

About 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(3-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine

2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(3-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine (PubChem CID 158169734) has the molecular formula C196H185FN58O10S3 and a molecular weight of 3628.23 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(3-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(3-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine
PubChem CID158169734
Molecular FormulaC196H185FN58O10S3
Molecular Weight3628.23 g/mol
Exact Mass3625.49
IUPAC Name2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(3-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine
SMILESCCOc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.CCc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.CSc1nc(N)cc(Oc2cccc(-c3nc(Nc4ccc(F)c(C)c4)n[nH]3)c2)n1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(C)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(SC(C)(C)C)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(SC(C)(C)C)nc(N)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc5cc(C)ccc45)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cncc5ccccc45)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cncnc4)c3)n2)c1
InChIInChI=1S/C25H21N5O.C24H19N5O.2C23H25N7OS.C21H21N7O2.C21H21N7O.C20H18FN7OS.C20H19N7O.C19H16N6O/c1-16-5-3-7-19(13-16)27-25-28-24(29-30-25)18-6-4-8-20(15-18)31-23-11-12-26-22-14-17(2)9-10-21(22)23;1-16-6-4-9-19(12-16)26-24-27-23(28-29-24)17-8-5-10-20(13-17)30-22-15-25-14-18-7-2-3-11-21(18)22;1-14-7-5-9-16(11-14)25-22-28-20(29-30-22)15-8-6-10-17(12-15)31-18-13-19(27-21(24)26-18)32-23(2,3)4;1-14-7-5-9-16(11-14)25-21-28-20(29-30-21)15-8-6-10-17(12-15)31-19-13-18(24)26-22(27-19)32-23(2,3)4;1-3-29-21-24-17(22)12-18(25-21)30-16-9-5-7-14(11-16)19-26-20(28-27-19)23-15-8-4-6-13(2)10-15;1-3-18-24-17(22)12-19(25-18)29-16-9-5-7-14(11-16)20-26-21(28-27-20)23-15-8-4-6-13(2)10-15;1-11-8-13(6-7-15(11)21)23-19-26-18(27-28-19)12-4-3-5-14(9-12)29-17-10-16(22)24-20(25-17)30-2;1-12-5-3-7-15(9-12)24-20-25-19(26-27-20)14-6-4-8-16(10-14)28-18-11-17(21)22-13(2)23-18;1-13-4-2-6-15(8-13)22-19-23-18(24-25-19)14-5-3-7-16(9-14)26-17-10-20-12-21-11-17/h3-15H,1-2H3,(H2,27,28,29,30);2-15H,1H3,(H2,26,27,28,29);2*5-13H,1-4H3,(H2,24,26,27)(H2,25,28,29,30);4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);3-10H,1-2H3,(H2,22,24,25)(H2,23,26,27,28);3-11H,1-2H3,(H2,21,22,23)(H2,24,25,26,27);2-12H,1H3,(H2,22,23,24,25)
InChIKeyFXHMQIBXFGOOJK-UHFFFAOYSA-N
XLogP44.18
TPSA937.06 Ų
H-Bond Donors24
H-Bond Acceptors62
Rotatable Bonds51
Heavy Atoms268
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003628.23
LogP ≤ 544.18
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1062

Analyze 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(3-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(3-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(3-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine (CID 158169734) is 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(3-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(3-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(3-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine is CCOc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.CCc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.CSc1nc(N)cc(Oc2cccc(-c3nc(Nc4ccc(F)c(C)c4)n[nH]3)c2)n1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(C)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(N)nc(SC(C)(C)C)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(SC(C)(C)C)nc(N)n4)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4ccnc5cc(C)ccc45)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cncc5ccccc45)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cncnc4)c3)n2)c1.
What is the InChIKey of 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(3-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is FXHMQIBXFGOOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O.C24H19N5O.2C23H25N7OS.C21H21N7O2.C21H21N7O.C20H18FN7OS.C20H19N7O.C19H16N6O/c1-16-5-3-7-19(13-16)27-25-28-24(29-30-25)18-6-4-8-20(15-18)31-23-11-12-26-22-14-17(2)9-10-21(22)23;1-16-6-4-9-19(12-16)26-24-27-23(28-29-24)17-8-5-10-20(13-17)30-22-15-25-14-18-7-2-3-11-21(18)22;1-14-7-5-9-16(11-14)25-22-28-20(29-30-22)15-8-6-10-17(12-15)31-18-13-19(27-21(24)26-18)32-23(2,3)4;1-14-7-5-9-16(11-14)25-21-28-20(29-30-21)15-8-6-10-17(12-15)31-19-13-18(24)26-22(27-19)32-23(2,3)4;1-3-29-21-24-17(22)12-18(25-21)30-16-9-5-7-14(11-16)19-26-20(28-27-19)23-15-8-4-6-13(2)10-15;1-3-18-24-17(22)12-19(25-18)29-16-9-5-7-14(11-16)20-26-21(28-27-20)23-15-8-4-6-13(2)10-15;1-11-8-13(6-7-15(11)21)23-19-26-18(27-28-19)12-4-3-5-14(9-12)29-17-10-16(22)24-20(25-17)30-2;1-12-5-3-7-15(9-12)24-20-25-19(26-27-20)14-6-4-8-16(10-14)28-18-11-17(21)22-13(2)23-18;1-13-4-2-6-15(8-13)22-19-23-18(24-25-19)14-5-3-7-16(9-14)26-17-10-20-12-21-11-17/h3-15H,1-2H3,(H2,27,28,29,30);2-15H,1H3,(H2,26,27,28,29);2*5-13H,1-4H3,(H2,24,26,27)(H2,25,28,29,30);4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);3-10H,1-2H3,(H2,22,24,25)(H2,23,26,27,28);3-11H,1-2H3,(H2,21,22,23)(H2,24,25,26,27);2-12H,1H3,(H2,22,23,24,25).
What are the key properties of 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(3-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine?
2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(3-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 3628.23 g/mol, XLogP of 44.18, 51 rotatable bonds, 24 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[3-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(3-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;N-(3-methylphenyl)-5-[3-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 158169734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).