6-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine

C133H135ClF2N42O12 — CID 160923626

About 6-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine

6-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine (PubChem CID 160923626) has the molecular formula C133H135ClF2N42O12 and a molecular weight of 2587.27 g/mol. Its IUPAC name is 6-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
• PubChem CID: 160923626
• Molecular Formula: C133H135ClF2N42O12
• Molecular Weight: 2587.27 g/mol
• Exact Mass: 2585.09
• IUPAC Name: 6-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
• SMILES: CCOc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C)c(Cl)c(C)c4)n[nH]3)cc2)n1.CCOc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C)cc(C)c4)n[nH]3)cc2)n1.CCOc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc(F)c(C)c4)n[nH]3)cc2)n1.CCOc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc(F)c(C)c4C)n[nH]3)cc2)n1.CCOc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4C)n[nH]3)cc2)n1.CCOc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc5c4CCCC5)n[nH]3)cc2)n1
• InChI: InChI=1S/C24H25N7O2.C22H22ClN7O2.C22H22FN7O2.2C22H23N7O2.C21H20FN7O2/c1-2-32-24-27-20(25)14-21(28-24)33-17-12-10-16(11-13-17)22-29-23(31-30-22)26-19-9-5-7-15-6-3-4-8-18(15)19;1-4-31-22-26-17(24)11-18(27-22)32-16-7-5-14(6-8-16)20-28-21(30-29-20)25-15-9-12(2)19(23)13(3)10-15;1-4-31-22-26-18(24)11-19(27-22)32-15-7-5-14(6-8-15)20-28-21(30-29-20)25-17-10-9-16(23)12(2)13(17)3;1-4-30-22-25-18(23)12-19(26-22)31-17-7-5-15(6-8-17)20-27-21(29-28-20)24-16-10-13(2)9-14(3)11-16;1-4-30-22-25-18(23)12-19(26-22)31-16-10-8-15(9-11-16)20-27-21(29-28-20)24-17-7-5-6-13(2)14(17)3;1-3-30-21-25-17(23)11-18(26-21)31-15-7-4-13(5-8-15)19-27-20(29-28-19)24-14-6-9-16(22)12(2)10-14/h5,7,9-14H,2-4,6,8H2,1H3,(H2,25,27,28)(H2,26,29,30,31);2*5-11H,4H2,1-3H3,(H2,24,26,27)(H2,25,28,29,30);2*5-12H,4H2,1-3H3,(H2,23,25,26)(H2,24,27,28,29);4-11H,3H2,1-2H3,(H2,23,25,26)(H2,24,27,28,29)
• InChIKey: SSIWNCJFWHGAEF-UHFFFAOYSA-N
• XLogP: 27.26
• TPSA: 743.16 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 48
• Rotatable Bonds: 42
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2587.27
LogP ≤ 5	27.26
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?

The IUPAC name of 6-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine (CID 160923626) is 6-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine.

What is the SMILES notation for 6-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?

The canonical SMILES for 6-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine is CCOc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C)c(Cl)c(C)c4)n[nH]3)cc2)n1.CCOc1nc(N)cc(Oc2ccc(-c3nc(Nc4cc(C)cc(C)c4)n[nH]3)cc2)n1.CCOc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc(F)c(C)c4)n[nH]3)cc2)n1.CCOc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc(F)c(C)c4C)n[nH]3)cc2)n1.CCOc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4C)n[nH]3)cc2)n1.CCOc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc5c4CCCC5)n[nH]3)cc2)n1.

What is the InChIKey of 6-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?

The InChIKey is SSIWNCJFWHGAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2.C22H22ClN7O2.C22H22FN7O2.2C22H23N7O2.C21H20FN7O2/c1-2-32-24-27-20(25)14-21(28-24)33-17-12-10-16(11-13-17)22-29-23(31-30-22)26-19-9-5-7-15-6-3-4-8-18(15)19;1-4-31-22-26-17(24)11-18(27-22)32-16-7-5-14(6-8-16)20-28-21(30-29-20)25-15-9-12(2)19(23)13(3)10-15;1-4-31-22-26-18(24)11-19(27-22)32-15-7-5-14(6-8-15)20-28-21(30-29-20)25-17-10-9-16(23)12(2)13(17)3;1-4-30-22-25-18(23)12-19(26-22)31-17-7-5-15(6-8-17)20-27-21(29-28-20)24-16-10-13(2)9-14(3)11-16;1-4-30-22-25-18(23)12-19(26-22)31-16-10-8-15(9-11-16)20-27-21(29-28-20)24-17-7-5-6-13(2)14(17)3;1-3-30-21-25-17(23)11-18(26-21)31-15-7-4-13(5-8-15)19-27-20(29-28-19)24-14-6-9-16(22)12(2)10-14/h5,7,9-14H,2-4,6,8H2,1H3,(H2,25,27,28)(H2,26,29,30,31);2*5-11H,4H2,1-3H3,(H2,24,26,27)(H2,25,28,29,30);2*5-12H,4H2,1-3H3,(H2,23,25,26)(H2,24,27,28,29);4-11H,3H2,1-2H3,(H2,23,25,26)(H2,24,27,28,29).

What are the key properties of 6-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?

6-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine has a molecular weight of 2587.27 g/mol, XLogP of 27.26, 42 rotatable bonds, 18 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;6-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-ethoxypyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(4-fluoro-3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;2-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 160923626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).