4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate;4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine

C103H104F9N43O3 — CID 162092802

About 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate;4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine

4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate;4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 162092802) has the molecular formula C103H104F9N43O3 and a molecular weight of 2163.24 g/mol. Its IUPAC name is 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate;4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate;4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 162092802
• Molecular Formula: C103H104F9N43O3
• Molecular Weight: 2163.24 g/mol
• Exact Mass: 2161.92
• IUPAC Name: 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate;4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
• SMILES: CC(Nc1ncnc(Nc2cc(-c3ccccn3)[nH]n2)n1)c1ccc(F)cc1.CC(Nc1ncnc(Nc2cc(-c3ccco3)[nH]n2)n1)c1ccc(F)cc1.CC(Nc1ncnc(Nc2cc(C(C)(C)C)[nH]n2)n1)c1ccc(F)cc1.CC(Nc1ncnc(Nc2cc(C(F)(F)F)[nH]n2)n1)c1ccc(F)cc1.CCOC(=O)c1cc(Nc2ncnc(NC(C)c3ccc(F)cc3)n2)n[nH]1.CCc1cc(Nc2ncnc(NC(C)c3ccc(F)cc3)n2)n[nH]1
• InChI: InChI=1S/C19H17FN8.C18H16FN7O.C18H22FN7.C17H18FN7O2.C16H18FN7.C15H13F4N7/c1-12(13-5-7-14(20)8-6-13)24-18-22-11-23-19(26-18)25-17-10-16(27-28-17)15-4-2-3-9-21-15;1-11(12-4-6-13(19)7-5-12)22-17-20-10-21-18(24-17)23-16-9-14(25-26-16)15-3-2-8-27-15;1-11(12-5-7-13(19)8-6-12)22-16-20-10-21-17(24-16)23-15-9-14(25-26-15)18(2,3)4;1-3-27-15(26)13-8-14(25-24-13)22-17-20-9-19-16(23-17)21-10(2)11-4-6-12(18)7-5-11;1-3-13-8-14(24-23-13)21-16-19-9-18-15(22-16)20-10(2)11-4-6-12(17)7-5-11;1-8(9-2-4-10(16)5-3-9)22-13-20-7-21-14(24-13)23-12-6-11(25-26-12)15(17,18)19/h2-12H,1H3,(H3,22,23,24,25,26,27,28);2-11H,1H3,(H3,20,21,22,23,24,25,26);5-11H,1-4H3,(H3,20,21,22,23,24,25,26);4-10H,3H2,1-2H3,(H3,19,20,21,22,23,24,25);4-10H,3H2,1-2H3,(H3,18,19,20,21,22,23,24);2-8H,1H3,(H3,20,21,22,23,24,25,26)
• InChIKey: ZDVPCUIUMALUEG-UHFFFAOYSA-N
• XLogP: 21.28
• TPSA: 600.79 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 40
• Rotatable Bonds: 35
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2163.24
LogP ≤ 5	21.28
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate;4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate;4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine (CID 162092802) is 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate;4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate;4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate;4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine is CC(Nc1ncnc(Nc2cc(-c3ccccn3)[nH]n2)n1)c1ccc(F)cc1.CC(Nc1ncnc(Nc2cc(-c3ccco3)[nH]n2)n1)c1ccc(F)cc1.CC(Nc1ncnc(Nc2cc(C(C)(C)C)[nH]n2)n1)c1ccc(F)cc1.CC(Nc1ncnc(Nc2cc(C(F)(F)F)[nH]n2)n1)c1ccc(F)cc1.CCOC(=O)c1cc(Nc2ncnc(NC(C)c3ccc(F)cc3)n2)n[nH]1.CCc1cc(Nc2ncnc(NC(C)c3ccc(F)cc3)n2)n[nH]1.

What is the InChIKey of 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate;4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine?

The InChIKey is ZDVPCUIUMALUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN8.C18H16FN7O.C18H22FN7.C17H18FN7O2.C16H18FN7.C15H13F4N7/c1-12(13-5-7-14(20)8-6-13)24-18-22-11-23-19(26-18)25-17-10-16(27-28-17)15-4-2-3-9-21-15;1-11(12-4-6-13(19)7-5-12)22-17-20-10-21-18(24-17)23-16-9-14(25-26-16)15-3-2-8-27-15;1-11(12-5-7-13(19)8-6-12)22-16-20-10-21-17(24-16)23-15-9-14(25-26-15)18(2,3)4;1-3-27-15(26)13-8-14(25-24-13)22-17-20-9-19-16(23-17)21-10(2)11-4-6-12(18)7-5-11;1-3-13-8-14(24-23-13)21-16-19-9-18-15(22-16)20-10(2)11-4-6-12(17)7-5-11;1-8(9-2-4-10(16)5-3-9)22-13-20-7-21-14(24-13)23-12-6-11(25-26-12)15(17,18)19/h2-12H,1H3,(H3,22,23,24,25,26,27,28);2-11H,1H3,(H3,20,21,22,23,24,25,26);5-11H,1-4H3,(H3,20,21,22,23,24,25,26);4-10H,3H2,1-2H3,(H3,19,20,21,22,23,24,25);4-10H,3H2,1-2H3,(H3,18,19,20,21,22,23,24);2-8H,1H3,(H3,20,21,22,23,24,25,26).

What are the key properties of 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate;4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine?

4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate;4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 2163.24 g/mol, XLogP of 21.28, 35 rotatable bonds, 18 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;ethyl 3-[[4-[1-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-1H-pyrazole-5-carboxylate;4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(4-fluorophenyl)ethyl]-4-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 162092802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).