6-[4-[3-(3-tert-butylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-tert-butylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(2-chloroanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-methoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanyl-N-propylpyrimidin-4-amine;bis(6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);2-methylsulfanyl-6-[4-[3-(3-propan-2-yloxyanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine

C211H207ClF4N70O12S9 — CID 161019060

About 6-[4-[3-(3-tert-butylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-tert-butylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(2-chloroanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-methoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanyl-N-propylpyrimidin-4-amine;bis(6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);2-methylsulfanyl-6-[4-[3-(3-propan-2-yloxyanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine

6-[4-[3-(3-tert-butylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-tert-butylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(2-chloroanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-methoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanyl-N-propylpyrimidin-4-amine;bis(6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);2-methylsulfanyl-6-[4-[3-(3-propan-2-yloxyanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine (PubChem CID 161019060) has the molecular formula C211H207ClF4N70O12S9 and a molecular weight of 4315.50 g/mol. Its IUPAC name is 6-[4-[3-(3-tert-butylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-tert-butylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(2-chloroanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-methoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanyl-N-propylpyrimidin-4-amine;bis(6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);2-methylsulfanyl-6-[4-[3-(3-propan-2-yloxyanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-[4-[3-(3-tert-butylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-tert-butylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(2-chloroanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-methoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanyl-N-propylpyrimidin-4-amine;bis(6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);2-methylsulfanyl-6-[4-[3-(3-propan-2-yloxyanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
• PubChem CID: 161019060
• Molecular Formula: C211H207ClF4N70O12S9
• Molecular Weight: 4315.50 g/mol
• Exact Mass: 4311.49
• IUPAC Name: 6-[4-[3-(3-tert-butylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-tert-butylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(2-chloroanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-methoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanyl-N-propylpyrimidin-4-amine;bis(6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);2-methylsulfanyl-6-[4-[3-(3-propan-2-yloxyanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
• SMILES: CC(C)(C)Sc1cc(Oc2ccc(-c3nc(Nc4cccc(C(F)(F)F)c4)n[nH]3)cc2)nc(N)n1.CCCNc1cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)nc(SC)n1.CCc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(SC)n4)cc3)n2)c1.COc1cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)nc(N)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C(C)(C)C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4F)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(OC(C)C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccccc4Cl)n[nH]3)cc2)n1
• InChI: InChI=1S/C23H22F3N7OS.2C23H25N7OS.C22H23N7O2S.C21H21N7OS.C20H18FN7OS.C20H19N7O2.2C20H19N7OS.C19H16ClN7OS/c1-22(2,3)35-18-12-17(29-20(27)30-18)34-16-9-7-13(8-10-16)19-31-21(33-32-19)28-15-6-4-5-14(11-15)23(24,25)26;1-23(2,3)15-6-5-7-16(12-15)25-21-28-20(29-30-21)14-8-10-17(11-9-14)31-19-13-18(24)26-22(27-19)32-4;1-4-12-24-19-14-20(27-23(26-19)32-3)31-18-10-8-16(9-11-18)21-28-22(30-29-21)25-17-7-5-6-15(2)13-17;1-13(2)30-17-6-4-5-15(11-17)24-21-27-20(28-29-21)14-7-9-16(10-8-14)31-19-12-18(23)25-22(26-19)32-3;1-3-13-5-4-6-15(11-13)23-20-26-19(27-28-20)14-7-9-16(10-8-14)29-18-12-17(22)24-21(25-18)30-2;1-11-4-3-5-14(17(11)21)23-19-26-18(27-28-19)12-6-8-13(9-7-12)29-16-10-15(22)24-20(25-16)30-2;1-12-4-3-5-14(10-12)22-20-25-18(26-27-20)13-6-8-15(9-7-13)29-17-11-16(28-2)23-19(21)24-17;2*1-12-4-3-5-14(10-12)22-19-25-18(26-27-19)13-6-8-15(9-7-13)28-17-11-16(21)23-20(24-17)29-2;1-29-19-23-15(21)10-16(24-19)28-12-8-6-11(7-9-12)17-25-18(27-26-17)22-14-5-3-2-4-13(14)20/h4-12H,1-3H3,(H2,27,29,30)(H2,28,31,32,33);5-13H,1-4H3,(H2,24,26,27)(H2,25,28,29,30);5-11,13-14H,4,12H2,1-3H3,(H,24,26,27)(H2,25,28,29,30);4-13H,1-3H3,(H2,23,25,26)(H2,24,27,28,29);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*3-11H,1-2H3,(H2,21,23,24)(H2,22,25,26,27);2-10H,1H3,(H2,21,23,24)(H2,22,25,26,27)
• InChIKey: TYCQLOWNQORZKL-UHFFFAOYSA-N
• XLogP: 48.71
• TPSA: 1150.77 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 81
• Rotatable Bonds: 66
• Heavy Atoms: 307
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4315.50
LogP ≤ 5	48.71
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	81

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(3-tert-butylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-tert-butylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(2-chloroanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-methoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanyl-N-propylpyrimidin-4-amine;bis(6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);2-methylsulfanyl-6-[4-[3-(3-propan-2-yloxyanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?

The IUPAC name of 6-[4-[3-(3-tert-butylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-tert-butylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(2-chloroanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-methoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanyl-N-propylpyrimidin-4-amine;bis(6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);2-methylsulfanyl-6-[4-[3-(3-propan-2-yloxyanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine (CID 161019060) is 6-[4-[3-(3-tert-butylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-tert-butylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(2-chloroanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-methoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanyl-N-propylpyrimidin-4-amine;bis(6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);2-methylsulfanyl-6-[4-[3-(3-propan-2-yloxyanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine.

What is the SMILES notation for 6-[4-[3-(3-tert-butylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-tert-butylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(2-chloroanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-methoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanyl-N-propylpyrimidin-4-amine;bis(6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);2-methylsulfanyl-6-[4-[3-(3-propan-2-yloxyanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?

The canonical SMILES for 6-[4-[3-(3-tert-butylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-tert-butylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(2-chloroanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-methoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanyl-N-propylpyrimidin-4-amine;bis(6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);2-methylsulfanyl-6-[4-[3-(3-propan-2-yloxyanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine is CC(C)(C)Sc1cc(Oc2ccc(-c3nc(Nc4cccc(C(F)(F)F)c4)n[nH]3)cc2)nc(N)n1.CCCNc1cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)nc(SC)n1.CCc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(SC)n4)cc3)n2)c1.COc1cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)nc(N)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C(C)(C)C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4F)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(OC(C)C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccccc4Cl)n[nH]3)cc2)n1.

What is the InChIKey of 6-[4-[3-(3-tert-butylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-tert-butylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(2-chloroanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-methoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanyl-N-propylpyrimidin-4-amine;bis(6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);2-methylsulfanyl-6-[4-[3-(3-propan-2-yloxyanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?

The InChIKey is TYCQLOWNQORZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7OS.2C23H25N7OS.C22H23N7O2S.C21H21N7OS.C20H18FN7OS.C20H19N7O2.2C20H19N7OS.C19H16ClN7OS/c1-22(2,3)35-18-12-17(29-20(27)30-18)34-16-9-7-13(8-10-16)19-31-21(33-32-19)28-15-6-4-5-14(11-15)23(24,25)26;1-23(2,3)15-6-5-7-16(12-15)25-21-28-20(29-30-21)14-8-10-17(11-9-14)31-19-13-18(24)26-22(27-19)32-4;1-4-12-24-19-14-20(27-23(26-19)32-3)31-18-10-8-16(9-11-18)21-28-22(30-29-21)25-17-7-5-6-15(2)13-17;1-13(2)30-17-6-4-5-15(11-17)24-21-27-20(28-29-21)14-7-9-16(10-8-14)31-19-12-18(23)25-22(26-19)32-3;1-3-13-5-4-6-15(11-13)23-20-26-19(27-28-20)14-7-9-16(10-8-14)29-18-12-17(22)24-21(25-18)30-2;1-11-4-3-5-14(17(11)21)23-19-26-18(27-28-19)12-6-8-13(9-7-12)29-16-10-15(22)24-20(25-16)30-2;1-12-4-3-5-14(10-12)22-20-25-18(26-27-20)13-6-8-15(9-7-13)29-17-11-16(28-2)23-19(21)24-17;2*1-12-4-3-5-14(10-12)22-19-25-18(26-27-19)13-6-8-15(9-7-13)28-17-11-16(21)23-20(24-17)29-2;1-29-19-23-15(21)10-16(24-19)28-12-8-6-11(7-9-12)17-25-18(27-26-17)22-14-5-3-2-4-13(14)20/h4-12H,1-3H3,(H2,27,29,30)(H2,28,31,32,33);5-13H,1-4H3,(H2,24,26,27)(H2,25,28,29,30);5-11,13-14H,4,12H2,1-3H3,(H,24,26,27)(H2,25,28,29,30);4-13H,1-3H3,(H2,23,25,26)(H2,24,27,28,29);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*3-11H,1-2H3,(H2,21,23,24)(H2,22,25,26,27);2-10H,1H3,(H2,21,23,24)(H2,22,25,26,27).

What are the key properties of 6-[4-[3-(3-tert-butylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-tert-butylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(2-chloroanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-methoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanyl-N-propylpyrimidin-4-amine;bis(6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);2-methylsulfanyl-6-[4-[3-(3-propan-2-yloxyanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?

6-[4-[3-(3-tert-butylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-tert-butylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(2-chloroanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-methoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanyl-N-propylpyrimidin-4-amine;bis(6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);2-methylsulfanyl-6-[4-[3-(3-propan-2-yloxyanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine has a molecular weight of 4315.50 g/mol, XLogP of 48.71, 66 rotatable bonds, 30 hydrogen bond donors, and 81 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3-(3-tert-butylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-tert-butylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(2-chloroanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-ethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(2-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-methoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanyl-N-propylpyrimidin-4-amine;bis(6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine);2-methylsulfanyl-6-[4-[3-(3-propan-2-yloxyanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 161019060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).