2-N-[1-(4-fluoro-2-methylphenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine

C119H110F6N44O2S — CID 157475330

About 2-N-[1-(4-fluoro-2-methylphenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine

2-N-[1-(4-fluoro-2-methylphenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 157475330) has the molecular formula C119H110F6N44O2S and a molecular weight of 2334.55 g/mol. Its IUPAC name is 2-N-[1-(4-fluoro-2-methylphenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[1-(4-fluoro-2-methylphenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 157475330
• Molecular Formula: C119H110F6N44O2S
• Molecular Weight: 2334.55 g/mol
• Exact Mass: 2332.95
• IUPAC Name: 2-N-[1-(4-fluoro-2-methylphenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
• SMILES: CC(Nc1ncnc(Nc2cc(-c3ccccc3)[nH]n2)n1)c1ccc(F)cc1.CC(Nc1ncnc(Nc2cc(-c3cccnc3)[nH]n2)n1)c1ccc(F)cc1.CC(Nc1ncnc(Nc2cc(-c3ccncc3)[nH]n2)n1)c1ccc(F)cc1.COc1ccc(-c2cc(Nc3ncnc(NC(C)c4ccc(F)cc4)n3)n[nH]2)cc1.COc1cccc(-c2cc(Nc3ncnc(NC(C)c4ccc(F)cc4)n3)n[nH]2)c1.Cc1cc(F)ccc1C(C)Nc1ncnc(Nc2cc(-c3cccs3)[nH]n2)n1
• InChI: InChI=1S/2C21H20FN7O.C20H18FN7.2C19H17FN8.C19H18FN7S/c1-13(14-3-7-16(22)8-4-14)25-20-23-12-24-21(27-20)26-19-11-18(28-29-19)15-5-9-17(30-2)10-6-15;1-13(14-6-8-16(22)9-7-14)25-20-23-12-24-21(27-20)26-19-11-18(28-29-19)15-4-3-5-17(10-15)30-2;1-13(14-7-9-16(21)10-8-14)24-19-22-12-23-20(26-19)25-18-11-17(27-28-18)15-5-3-2-4-6-15;1-12(13-2-4-15(20)5-3-13)24-18-22-11-23-19(26-18)25-17-10-16(27-28-17)14-6-8-21-9-7-14;1-12(13-4-6-15(20)7-5-13)24-18-22-11-23-19(26-18)25-17-9-16(27-28-17)14-3-2-8-21-10-14;1-11-8-13(20)5-6-14(11)12(2)23-18-21-10-22-19(25-18)24-17-9-15(26-27-17)16-4-3-7-28-16/h2*3-13H,1-2H3,(H3,23,24,25,26,27,28,29);2-13H,1H3,(H3,22,23,24,25,26,27,28);2*2-12H,1H3,(H3,22,23,24,25,26,27,28);3-10,12H,1-2H3,(H3,21,22,23,24,25,26,27)
• InChIKey: BVNBZNPIPORARP-UHFFFAOYSA-N
• XLogP: 25.08
• TPSA: 592.70 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 41
• Rotatable Bonds: 38
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2334.55
LogP ≤ 5	25.08
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-fluoro-2-methylphenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N-[1-(4-fluoro-2-methylphenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (CID 157475330) is 2-N-[1-(4-fluoro-2-methylphenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N-[1-(4-fluoro-2-methylphenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N-[1-(4-fluoro-2-methylphenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is CC(Nc1ncnc(Nc2cc(-c3ccccc3)[nH]n2)n1)c1ccc(F)cc1.CC(Nc1ncnc(Nc2cc(-c3cccnc3)[nH]n2)n1)c1ccc(F)cc1.CC(Nc1ncnc(Nc2cc(-c3ccncc3)[nH]n2)n1)c1ccc(F)cc1.COc1ccc(-c2cc(Nc3ncnc(NC(C)c4ccc(F)cc4)n3)n[nH]2)cc1.COc1cccc(-c2cc(Nc3ncnc(NC(C)c4ccc(F)cc4)n3)n[nH]2)c1.Cc1cc(F)ccc1C(C)Nc1ncnc(Nc2cc(-c3cccs3)[nH]n2)n1.

What is the InChIKey of 2-N-[1-(4-fluoro-2-methylphenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?

The InChIKey is BVNBZNPIPORARP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H20FN7O.C20H18FN7.2C19H17FN8.C19H18FN7S/c1-13(14-3-7-16(22)8-4-14)25-20-23-12-24-21(27-20)26-19-11-18(28-29-19)15-5-9-17(30-2)10-6-15;1-13(14-6-8-16(22)9-7-14)25-20-23-12-24-21(27-20)26-19-11-18(28-29-19)15-4-3-5-17(10-15)30-2;1-13(14-7-9-16(21)10-8-14)24-19-22-12-23-20(26-19)25-18-11-17(27-28-18)15-5-3-2-4-6-15;1-12(13-2-4-15(20)5-3-13)24-18-22-11-23-19(26-18)25-17-10-16(27-28-17)14-6-8-21-9-7-14;1-12(13-4-6-15(20)7-5-13)24-18-22-11-23-19(26-18)25-17-9-16(27-28-17)14-3-2-8-21-10-14;1-11-8-13(20)5-6-14(11)12(2)23-18-21-10-22-19(25-18)24-17-9-15(26-27-17)16-4-3-7-28-16/h2*3-13H,1-2H3,(H3,23,24,25,26,27,28,29);2-13H,1H3,(H3,22,23,24,25,26,27,28);2*2-12H,1H3,(H3,22,23,24,25,26,27,28);3-10,12H,1-2H3,(H3,21,22,23,24,25,26,27).

What are the key properties of 2-N-[1-(4-fluoro-2-methylphenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?

2-N-[1-(4-fluoro-2-methylphenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 2334.55 g/mol, XLogP of 25.08, 38 rotatable bonds, 18 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[1-(4-fluoro-2-methylphenyl)ethyl]-4-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-phenyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-3-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 157475330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).