6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;N-methyl-5-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine

C140H122N46O6S2 — CID 159765671

About 6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;N-methyl-5-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine

6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;N-methyl-5-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine (PubChem CID 159765671) has the molecular formula C140H122N46O6S2 and a molecular weight of 2608.97 g/mol. Its IUPAC name is 6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;N-methyl-5-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine.

Molecular Properties

• Compound Name: 6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;N-methyl-5-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine
• PubChem CID: 159765671
• Molecular Formula: C140H122N46O6S2
• Molecular Weight: 2608.97 g/mol
• Exact Mass: 2607.01
• IUPAC Name: 6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;N-methyl-5-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine
• SMILES: CNc1ncc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)cccc2n1.CNc1ncc2cc(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)ccc2n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c3ccccc23)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c3ccncc23)n1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(N)n4)c4ccccc34)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(N)n4)c4cnccc34)n2)c1
• InChI: InChI=1S/C24H21N7OS.2C24H21N7O.C23H20N8OS.C23H20N8O.C22H19N9O/c1-14-6-5-7-15(12-14)26-23-29-22(30-31-23)18-10-11-19(17-9-4-3-8-16(17)18)32-21-13-20(25)27-24(28-21)33-2;1-15-5-3-6-17(13-15)27-24-29-22(30-31-24)16-9-11-18(12-10-16)32-21-8-4-7-20-19(21)14-26-23(25-2)28-20;1-15-4-3-5-18(12-15)27-24-29-22(30-31-24)16-6-8-19(9-7-16)32-20-10-11-21-17(13-20)14-26-23(25-2)28-21;1-13-4-3-5-14(10-13)26-22-29-21(30-31-22)16-6-7-18(17-12-25-9-8-15(16)17)32-20-11-19(24)27-23(28-20)33-2;1-13-5-4-6-14(11-13)26-23-29-21(30-31-23)17-9-10-18(16-8-3-2-7-15(16)17)32-20-12-19(24)27-22(25)28-20;1-12-3-2-4-13(9-12)26-22-29-20(30-31-22)15-5-6-17(16-11-25-8-7-14(15)16)32-19-10-18(23)27-21(24)28-19/h3-13H,1-2H3,(H2,25,27,28)(H2,26,29,30,31);2*3-14H,1-2H3,(H,25,26,28)(H2,27,29,30,31);3-12H,1-2H3,(H2,24,27,28)(H2,26,29,30,31);2-12H,1H3,(H4,24,25,27,28)(H2,26,29,30,31);2-11H,1H3,(H4,23,24,27,28)(H2,26,29,30,31)
• InChIKey: NFLQRDHYJUXEKN-UHFFFAOYSA-N
• XLogP: 29.37
• TPSA: 737.62 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 48
• Rotatable Bonds: 34
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2608.97
LogP ≤ 5	29.37
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;N-methyl-5-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine?

The IUPAC name of 6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;N-methyl-5-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine (CID 159765671) is 6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;N-methyl-5-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine.

What is the SMILES notation for 6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;N-methyl-5-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine?

The canonical SMILES for 6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;N-methyl-5-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine is CNc1ncc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)cccc2n1.CNc1ncc2cc(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)ccc2n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c3ccccc23)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)c3ccncc23)n1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(N)n4)c4ccccc34)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc(N)n4)c4cnccc34)n2)c1.

What is the InChIKey of 6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;N-methyl-5-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine?

The InChIKey is NFLQRDHYJUXEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7OS.2C24H21N7O.C23H20N8OS.C23H20N8O.C22H19N9O/c1-14-6-5-7-15(12-14)26-23-29-22(30-31-23)18-10-11-19(17-9-4-3-8-16(17)18)32-21-13-20(25)27-24(28-21)33-2;1-15-5-3-6-17(13-15)27-24-29-22(30-31-24)16-9-11-18(12-10-16)32-21-8-4-7-20-19(21)14-26-23(25-2)28-20;1-15-4-3-5-18(12-15)27-24-29-22(30-31-24)16-6-8-19(9-7-16)32-20-10-11-21-17(13-20)14-26-23(25-2)28-21;1-13-4-3-5-14(10-13)26-22-29-21(30-31-22)16-6-7-18(17-12-25-9-8-15(16)17)32-20-11-19(24)27-23(28-20)33-2;1-13-5-4-6-14(11-13)26-23-29-21(30-31-23)17-9-10-18(16-8-3-2-7-15(16)17)32-20-12-19(24)27-22(25)28-20;1-12-3-2-4-13(9-12)26-22-29-20(30-31-22)15-5-6-17(16-11-25-8-7-14(15)16)32-19-10-18(23)27-21(24)28-19/h3-13H,1-2H3,(H2,25,27,28)(H2,26,29,30,31);2*3-14H,1-2H3,(H,25,26,28)(H2,27,29,30,31);3-12H,1-2H3,(H2,24,27,28)(H2,26,29,30,31);2-12H,1H3,(H4,24,25,27,28)(H2,26,29,30,31);2-11H,1H3,(H4,23,24,27,28)(H2,26,29,30,31).

What are the key properties of 6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;N-methyl-5-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine?

6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;N-methyl-5-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine has a molecular weight of 2608.97 g/mol, XLogP of 29.37, 34 rotatable bonds, 20 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[5-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]isoquinolin-8-yl]oxypyrimidine-2,4-diamine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxy-2-methylsulfanylpyrimidin-4-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]naphthalen-1-yl]oxypyrimidine-2,4-diamine;N-methyl-5-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine;N-methyl-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinazolin-2-amine is sourced from PubChem (CID 159765671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).