2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]-2-(4-fluorophenyl)ethanol;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-2-N-methyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methoxy-1-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine

C106H114ClF8N43O2 — CID 157261966

About 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]-2-(4-fluorophenyl)ethanol;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-2-N-methyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methoxy-1-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine

2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]-2-(4-fluorophenyl)ethanol;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-2-N-methyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methoxy-1-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 157261966) has the molecular formula C106H114ClF8N43O2 and a molecular weight of 2209.81 g/mol. Its IUPAC name is 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]-2-(4-fluorophenyl)ethanol;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-2-N-methyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methoxy-1-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]-2-(4-fluorophenyl)ethanol;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-2-N-methyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methoxy-1-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 157261966
• Molecular Formula: C106H114ClF8N43O2
• Molecular Weight: 2209.81 g/mol
• Exact Mass: 2207.97
• IUPAC Name: 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]-2-(4-fluorophenyl)ethanol;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-2-N-methyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methoxy-1-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
• SMILES: CC(Nc1ncnc(Nc2cc(C3CC3)[nH]n2)n1)c1cc(F)ccc1F.CC(Nc1ncnc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1Cl.CC(Nc1ncnc(Nc2cc(C3CCNCC3)[nH]n2)n1)c1ccc(F)cc1F.CC(c1cc(F)ccc1F)N(C)c1ncnc(Nc2cc(C3CC3)[nH]n2)n1.COCC(Nc1ncnc(Nc2cc(C3CC3)[nH]n2)n1)c1ccccc1.OCC(Nc1ncnc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1
• InChI: InChI=1S/C19H22F2N8.C18H19F2N7.C18H21N7O.C17H17ClFN7.C17H17F2N7.C17H18FN7O/c1-11(14-3-2-13(20)8-15(14)21)25-18-23-10-24-19(27-18)26-17-9-16(28-29-17)12-4-6-22-7-5-12;1-10(13-7-12(19)5-6-14(13)20)27(2)18-22-9-21-17(24-18)23-16-8-15(25-26-16)11-3-4-11;1-26-10-15(12-5-3-2-4-6-12)21-17-19-11-20-18(23-17)22-16-9-14(24-25-16)13-7-8-13;1-9(12-5-4-11(19)6-13(12)18)22-16-20-8-21-17(24-16)23-15-7-14(25-26-15)10-2-3-10;1-9(12-6-11(18)4-5-13(12)19)22-16-20-8-21-17(24-16)23-15-7-14(25-26-15)10-2-3-10;18-12-5-3-11(4-6-12)14(8-26)21-16-19-9-20-17(23-16)22-15-7-13(24-25-15)10-1-2-10/h2-3,8-12,22H,4-7H2,1H3,(H3,23,24,25,26,27,28,29);5-11H,3-4H2,1-2H3,(H2,21,22,23,24,25,26);2-6,9,11,13,15H,7-8,10H2,1H3,(H3,19,20,21,22,23,24,25);2*4-10H,2-3H2,1H3,(H3,20,21,22,23,24,25,26);3-7,9-10,14,26H,1-2,8H2,(H3,19,20,21,22,23,24,25)
• InChIKey: AXOIOWFEVUDFHD-UHFFFAOYSA-N
• XLogP: 20.31
• TPSA: 581.16 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 39
• Rotatable Bonds: 39
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2209.81
LogP ≤ 5	20.31
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]-2-(4-fluorophenyl)ethanol;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-2-N-methyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methoxy-1-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]-2-(4-fluorophenyl)ethanol;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-2-N-methyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methoxy-1-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine (CID 157261966) is 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]-2-(4-fluorophenyl)ethanol;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-2-N-methyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methoxy-1-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]-2-(4-fluorophenyl)ethanol;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-2-N-methyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methoxy-1-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]-2-(4-fluorophenyl)ethanol;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-2-N-methyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methoxy-1-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is CC(Nc1ncnc(Nc2cc(C3CC3)[nH]n2)n1)c1cc(F)ccc1F.CC(Nc1ncnc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1Cl.CC(Nc1ncnc(Nc2cc(C3CCNCC3)[nH]n2)n1)c1ccc(F)cc1F.CC(c1cc(F)ccc1F)N(C)c1ncnc(Nc2cc(C3CC3)[nH]n2)n1.COCC(Nc1ncnc(Nc2cc(C3CC3)[nH]n2)n1)c1ccccc1.OCC(Nc1ncnc(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1.

What is the InChIKey of 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]-2-(4-fluorophenyl)ethanol;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-2-N-methyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methoxy-1-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?

The InChIKey is AXOIOWFEVUDFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N8.C18H19F2N7.C18H21N7O.C17H17ClFN7.C17H17F2N7.C17H18FN7O/c1-11(14-3-2-13(20)8-15(14)21)25-18-23-10-24-19(27-18)26-17-9-16(28-29-17)12-4-6-22-7-5-12;1-10(13-7-12(19)5-6-14(13)20)27(2)18-22-9-21-17(24-18)23-16-8-15(25-26-16)11-3-4-11;1-26-10-15(12-5-3-2-4-6-12)21-17-19-11-20-18(23-17)22-16-9-14(24-25-16)13-7-8-13;1-9(12-5-4-11(19)6-13(12)18)22-16-20-8-21-17(24-16)23-15-7-14(25-26-15)10-2-3-10;1-9(12-6-11(18)4-5-13(12)19)22-16-20-8-21-17(24-16)23-15-7-14(25-26-15)10-2-3-10;18-12-5-3-11(4-6-12)14(8-26)21-16-19-9-20-17(23-16)22-15-7-13(24-25-15)10-1-2-10/h2-3,8-12,22H,4-7H2,1H3,(H3,23,24,25,26,27,28,29);5-11H,3-4H2,1-2H3,(H2,21,22,23,24,25,26);2-6,9,11,13,15H,7-8,10H2,1H3,(H3,19,20,21,22,23,24,25);2*4-10H,2-3H2,1H3,(H3,20,21,22,23,24,25,26);3-7,9-10,14,26H,1-2,8H2,(H3,19,20,21,22,23,24,25).

What are the key properties of 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]-2-(4-fluorophenyl)ethanol;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-2-N-methyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methoxy-1-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine?

2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]-2-(4-fluorophenyl)ethanol;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-2-N-methyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methoxy-1-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 2209.81 g/mol, XLogP of 20.31, 39 rotatable bonds, 19 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]-2-(4-fluorophenyl)ethanol;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-2-N-methyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methoxy-1-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 157261966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).