5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine

C60H52F3N19O6S — CID 161498994

About 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine

5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine (PubChem CID 161498994) has the molecular formula C60H52F3N19O6S and a molecular weight of 1224.26 g/mol. Its IUPAC name is 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
• PubChem CID: 161498994
• Molecular Formula: C60H52F3N19O6S
• Molecular Weight: 1224.26 g/mol
• Exact Mass: 1223.40
• IUPAC Name: 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;2-ethoxy-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.CSc1nc(N)cc(Oc2ccc(-c3nnc(Nc4cccc(C)c4)o3)cc2)n1.Nc1nccc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)o3)cc2)n1
• InChI: InChI=1S/C21H21N7O2.C20H18N6O2S.C19H13F3N6O2/c1-3-29-21-24-17(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;1-12-4-3-5-14(10-12)22-19-26-25-18(28-19)13-6-8-15(9-7-13)27-17-11-16(21)23-20(24-17)29-2;20-19(21,22)12-2-1-3-13(10-12)25-18-28-27-16(30-18)11-4-6-14(7-5-11)29-15-8-9-24-17(23)26-15/h4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);3-11H,1-2H3,(H,22,26)(H2,21,23,24);1-10H,(H,25,28)(H2,23,24,26)
• InChIKey: WGOYNVPDDAAPJX-UHFFFAOYSA-N
• XLogP: 13.43
• TPSA: 347.82 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1224.26
LogP ≤ 5	13.43
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?

The IUPAC name of 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine (CID 161498994) is 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine.

What is the SMILES notation for 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?

The canonical SMILES for 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;2-ethoxy-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.CSc1nc(N)cc(Oc2ccc(-c3nnc(Nc4cccc(C)c4)o3)cc2)n1.Nc1nccc(Oc2ccc(-c3nnc(Nc4cccc(C(F)(F)F)c4)o3)cc2)n1.

What is the InChIKey of 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?

The InChIKey is WGOYNVPDDAAPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2.C20H18N6O2S.C19H13F3N6O2/c1-3-29-21-24-17(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;1-12-4-3-5-14(10-12)22-19-26-25-18(28-19)13-6-8-15(9-7-13)27-17-11-16(21)23-20(24-17)29-2;20-19(21,22)12-2-1-3-13(10-12)25-18-28-27-16(30-18)11-4-6-14(7-5-11)29-15-8-9-24-17(23)26-15/h4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);3-11H,1-2H3,(H,22,26)(H2,21,23,24);1-10H,(H,25,28)(H2,23,24,26).

What are the key properties of 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?

5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine has a molecular weight of 1224.26 g/mol, XLogP of 13.43, 18 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine;2-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 161498994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).