2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-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;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine

C167H165N55O11S — CID 159515589

IUPAC2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-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;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-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.CCc1cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)nc(N)n1.CCc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.COCCOc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(C)nc(N)n4)c3)n2)c1.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(Oc4cncnc4)c3)n2)c1
InChIInChI=1S/C23H25N7OS.C22H23N7O3.C21H21N7O2.2C21H21N7O.2C20H19N7O.C19H16N6O/c1-14-7-5-9-16(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;1-14-5-3-7-16(11-14)24-21-27-20(28-29-21)15-6-4-8-17(12-15)32-19-13-18(23)25-22(26-19)31-10-9-30-2;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;1-3-15-12-18(25-20(22)23-15)29-17-9-5-7-14(11-17)19-26-21(28-27-19)24-16-8-4-6-13(2)10-16;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;1-12-5-3-7-15(9-12)23-20-25-18(26-27-20)14-6-4-8-16(11-14)28-17-10-13(2)22-19(21)24-17;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/h5-13H,1-4H3,(H2,24,26,27)(H2,25,28,29,30);3-8,11-13H,9-10H2,1-2H3,(H2,23,25,26)(H2,24,27,28,29);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);4-12H,3H2,1-2H3,(H2,22,23,25)(H2,24,26,27,28);3-11H,1-2H3,(H2,21,22,23)(H2,24,25,26,27);3-11H,1-2H3,(H2,21,22,24)(H2,23,25,26,27);2-12H,1H3,(H2,22,23,24,25)
InChIKeyMBDPKXVSBZIIBZ-UHFFFAOYSA-N
MW3150.60 g/mol
LogP33.98
Rot. Bonds49

About 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-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;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-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;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;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine (PubChem CID 159515589) has the molecular formula C167H165N55O11S and a molecular weight of 3150.60 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;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;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-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;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;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine
PubChem CID159515589
Molecular FormulaC167H165N55O11S
Molecular Weight3150.60 g/mol
Exact Mass3148.38
IUPAC Name2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-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;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-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.CCc1cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)nc(N)n1.CCc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.COCCOc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(C)nc(N)n4)c3)n2)c1.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(Oc4cncnc4)c3)n2)c1
InChIInChI=1S/C23H25N7OS.C22H23N7O3.C21H21N7O2.2C21H21N7O.2C20H19N7O.C19H16N6O/c1-14-7-5-9-16(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;1-14-5-3-7-16(11-14)24-21-27-20(28-29-21)15-6-4-8-17(12-15)32-19-13-18(23)25-22(26-19)31-10-9-30-2;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;1-3-15-12-18(25-20(22)23-15)29-17-9-5-7-14(11-17)19-26-21(28-27-19)24-16-8-4-6-13(2)10-16;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;1-12-5-3-7-15(9-12)23-20-25-18(26-27-20)14-6-4-8-16(11-14)28-17-10-13(2)22-19(21)24-17;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/h5-13H,1-4H3,(H2,24,26,27)(H2,25,28,29,30);3-8,11-13H,9-10H2,1-2H3,(H2,23,25,26)(H2,24,27,28,29);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);4-12H,3H2,1-2H3,(H2,22,23,25)(H2,24,26,27,28);3-11H,1-2H3,(H2,21,22,23)(H2,24,25,26,27);3-11H,1-2H3,(H2,21,22,24)(H2,23,25,26,27);2-12H,1H3,(H2,22,23,24,25)
InChIKeyMBDPKXVSBZIIBZ-UHFFFAOYSA-N
XLogP33.98
TPSA918.71 Ų
H-Bond Donors23
H-Bond Acceptors59
Rotatable Bonds49
Heavy Atoms234
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003150.60
LogP ≤ 533.98
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-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;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine with MolForge

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Related Compounds

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;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;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-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;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;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine (CID 159515589) is 2-tert-butylsulfanyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-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;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-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;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;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-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;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;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-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.CCc1cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)nc(N)n1.CCc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.COCCOc1nc(N)cc(Oc2cccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c2)n1.Cc1cccc(Nc2n[nH]c(-c3cccc(Oc4cc(C)nc(N)n4)c3)n2)c1.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(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;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;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is MBDPKXVSBZIIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7OS.C22H23N7O3.C21H21N7O2.2C21H21N7O.2C20H19N7O.C19H16N6O/c1-14-7-5-9-16(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;1-14-5-3-7-16(11-14)24-21-27-20(28-29-21)15-6-4-8-17(12-15)32-19-13-18(23)25-22(26-19)31-10-9-30-2;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;1-3-15-12-18(25-20(22)23-15)29-17-9-5-7-14(11-17)19-26-21(28-27-19)24-16-8-4-6-13(2)10-16;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;1-12-5-3-7-15(9-12)23-20-25-18(26-27-20)14-6-4-8-16(11-14)28-17-10-13(2)22-19(21)24-17;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/h5-13H,1-4H3,(H2,24,26,27)(H2,25,28,29,30);3-8,11-13H,9-10H2,1-2H3,(H2,23,25,26)(H2,24,27,28,29);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);4-12H,3H2,1-2H3,(H2,22,23,25)(H2,24,26,27,28);3-11H,1-2H3,(H2,21,22,23)(H2,24,25,26,27);3-11H,1-2H3,(H2,21,22,24)(H2,23,25,26,27);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;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;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-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;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;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 3150.60 g/mol, XLogP of 33.98, 49 rotatable bonds, 23 hydrogen bond donors, and 59 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;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;4-ethyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-(2-methoxyethoxy)-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-methyl-6-[3-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;N-(3-methylphenyl)-5-(3-pyrimidin-5-yloxyphenyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 159515589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).