2-tert-butylsulfanyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-(cyclopropylmethoxy)-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[2-methyl-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine

C149H148FN49O9S3 — CID 159889325

About 2-tert-butylsulfanyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-(cyclopropylmethoxy)-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[2-methyl-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine

2-tert-butylsulfanyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-(cyclopropylmethoxy)-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[2-methyl-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine (PubChem CID 159889325) has the molecular formula C149H148FN49O9S3 and a molecular weight of 2884.36 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-(cyclopropylmethoxy)-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[2-methyl-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-tert-butylsulfanyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-(cyclopropylmethoxy)-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[2-methyl-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
• PubChem CID: 159889325
• Molecular Formula: C149H148FN49O9S3
• Molecular Weight: 2884.36 g/mol
• Exact Mass: 2882.18
• IUPAC Name: 2-tert-butylsulfanyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-(cyclopropylmethoxy)-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[2-methyl-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
• SMILES: CCOc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.CCc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc(F)c(C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2C)n1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(C)n4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(SC(C)(C)C)n4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(OCC5CC5)nc(N)n4)cc3)n2)c1
• InChI: InChI=1S/C23H23N7O2.C23H25N7OS.C21H21N7O2.C21H21N7OS.C21H21N7O.C20H18FN7OS.C20H19N7O/c1-14-3-2-4-17(11-14)25-23-28-21(29-30-23)16-7-9-18(10-8-16)32-20-12-19(26-22(24)27-20)31-13-15-5-6-15;1-14-6-5-7-16(12-14)25-21-28-20(29-30-21)15-8-10-17(11-9-15)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)30-16-9-7-14(8-10-16)19-26-20(28-27-19)23-15-6-4-5-13(2)11-15;1-12-5-4-6-15(9-12)23-20-26-19(27-28-20)14-7-8-16(13(2)10-14)29-18-11-17(22)24-21(25-18)30-3;1-3-18-24-17(22)12-19(25-18)29-16-9-7-14(8-10-16)20-26-21(28-27-20)23-15-6-4-5-13(2)11-15;1-11-9-13(5-8-15(11)21)23-19-26-18(27-28-19)12-3-6-14(7-4-12)29-17-10-16(22)24-20(25-17)30-2;1-12-4-3-5-15(10-12)24-20-25-19(26-27-20)14-6-8-16(9-7-14)28-18-11-17(21)22-13(2)23-18/h2-4,7-12,15H,5-6,13H2,1H3,(H2,24,26,27)(H2,25,28,29,30);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);4-11H,1-3H3,(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)
• InChIKey: NUNSEPJGUYBBIF-UHFFFAOYSA-N
• XLogP: 31.66
• TPSA: 820.87 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 54
• Rotatable Bonds: 44
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2884.36
LogP ≤ 5	31.66
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-(cyclopropylmethoxy)-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[2-methyl-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?

The IUPAC name of 2-tert-butylsulfanyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-(cyclopropylmethoxy)-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[2-methyl-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine (CID 159889325) is 2-tert-butylsulfanyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-(cyclopropylmethoxy)-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[2-methyl-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine.

What is the SMILES notation for 2-tert-butylsulfanyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-(cyclopropylmethoxy)-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[2-methyl-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?

The canonical SMILES for 2-tert-butylsulfanyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-(cyclopropylmethoxy)-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[2-methyl-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine is CCOc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.CCc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc(F)c(C)c4)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2C)n1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(C)n4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(SC(C)(C)C)n4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(OCC5CC5)nc(N)n4)cc3)n2)c1.

What is the InChIKey of 2-tert-butylsulfanyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-(cyclopropylmethoxy)-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[2-methyl-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?

The InChIKey is NUNSEPJGUYBBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2.C23H25N7OS.C21H21N7O2.C21H21N7OS.C21H21N7O.C20H18FN7OS.C20H19N7O/c1-14-3-2-4-17(11-14)25-23-28-21(29-30-23)16-7-9-18(10-8-16)32-20-12-19(26-22(24)27-20)31-13-15-5-6-15;1-14-6-5-7-16(12-14)25-21-28-20(29-30-21)15-8-10-17(11-9-15)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)30-16-9-7-14(8-10-16)19-26-20(28-27-19)23-15-6-4-5-13(2)11-15;1-12-5-4-6-15(9-12)23-20-26-19(27-28-20)14-7-8-16(13(2)10-14)29-18-11-17(22)24-21(25-18)30-3;1-3-18-24-17(22)12-19(25-18)29-16-9-7-14(8-10-16)20-26-21(28-27-20)23-15-6-4-5-13(2)11-15;1-11-9-13(5-8-15(11)21)23-19-26-18(27-28-19)12-3-6-14(7-4-12)29-17-10-16(22)24-20(25-17)30-2;1-12-4-3-5-15(10-12)24-20-25-19(26-27-20)14-6-8-16(9-7-14)28-18-11-17(21)22-13(2)23-18/h2-4,7-12,15H,5-6,13H2,1H3,(H2,24,26,27)(H2,25,28,29,30);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);4-11H,1-3H3,(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).

What are the key properties of 2-tert-butylsulfanyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-(cyclopropylmethoxy)-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[2-methyl-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?

2-tert-butylsulfanyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-(cyclopropylmethoxy)-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[2-methyl-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine has a molecular weight of 2884.36 g/mol, XLogP of 31.66, 44 rotatable bonds, 21 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butylsulfanyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-(cyclopropylmethoxy)-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;6-[2-methyl-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;2-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 159889325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).