2-N,2-N-diethyl-6-(1,1,1,3,3-pentafluorobutan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-(4-nitrophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;2-N-(3-methylphenyl)-4-N-prop-2-enyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine

C74H83F17N26O7 — CID 159494297

About 2-N,2-N-diethyl-6-(1,1,1,3,3-pentafluorobutan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-(4-nitrophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;2-N-(3-methylphenyl)-4-N-prop-2-enyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine

2-N,2-N-diethyl-6-(1,1,1,3,3-pentafluorobutan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-(4-nitrophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;2-N-(3-methylphenyl)-4-N-prop-2-enyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine (PubChem CID 159494297) has the molecular formula C74H83F17N26O7 and a molecular weight of 1771.62 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-(1,1,1,3,3-pentafluorobutan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-(4-nitrophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;2-N-(3-methylphenyl)-4-N-prop-2-enyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N,2-N-diethyl-6-(1,1,1,3,3-pentafluorobutan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-(4-nitrophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;2-N-(3-methylphenyl)-4-N-prop-2-enyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
• PubChem CID: 159494297
• Molecular Formula: C74H83F17N26O7
• Molecular Weight: 1771.62 g/mol
• Exact Mass: 1770.67
• IUPAC Name: 2-N,2-N-diethyl-6-(1,1,1,3,3-pentafluorobutan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-(4-nitrophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;2-N-(3-methylphenyl)-4-N-prop-2-enyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
• SMILES: C=CCNc1nc(Nc2cccc(C)c2)nc(OC(C)C(F)(F)F)n1.CCN(CC)c1nc(Nc2ccccc2)nc(OC(C(C)(F)F)C(F)(F)F)n1.CNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(OCC(F)(F)C(C)F)n1.CNc1nc(Nc2ccccc2)nc(OC(C)C(F)(F)F)n1.CNc1nc(Nc2ccccc2)nc(OCC(F)(F)C(C)F)n1
• InChI: InChI=1S/C17H20F5N5O.C16H18F3N5O.C14H15F3N6O3.C14H16F3N5O.C13H14F3N5O/c1-4-27(5-2)14-24-13(23-11-9-7-6-8-10-11)25-15(26-14)28-12(16(3,18)19)17(20,21)22;1-4-8-20-13-22-14(21-12-7-5-6-10(2)9-12)24-15(23-13)25-11(3)16(17,18)19;1-8(15)14(16,17)7-26-13-21-11(18-2)20-12(22-13)19-9-3-5-10(6-4-9)23(24)25;1-9(15)14(16,17)8-23-13-21-11(18-2)20-12(22-13)19-10-6-4-3-5-7-10;1-8(13(14,15)16)22-12-20-10(17-2)19-11(21-12)18-9-6-4-3-5-7-9/h6-10,12H,4-5H2,1-3H3,(H,23,24,25,26);4-7,9,11H,1,8H2,2-3H3,(H2,20,21,22,23,24);3-6,8H,7H2,1-2H3,(H2,18,19,20,21,22);3-7,9H,8H2,1-2H3,(H2,18,19,20,21,22);3-8H,1-2H3,(H2,17,18,19,20,21)
• InChIKey: LYOXKPGCCHDZKB-UHFFFAOYSA-N
• XLogP: 17.23
• TPSA: 394.15 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 35
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1771.62
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-(1,1,1,3,3-pentafluorobutan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-(4-nitrophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;2-N-(3-methylphenyl)-4-N-prop-2-enyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N,2-N-diethyl-6-(1,1,1,3,3-pentafluorobutan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-(4-nitrophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;2-N-(3-methylphenyl)-4-N-prop-2-enyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine (CID 159494297) is 2-N,2-N-diethyl-6-(1,1,1,3,3-pentafluorobutan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-(4-nitrophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;2-N-(3-methylphenyl)-4-N-prop-2-enyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N,2-N-diethyl-6-(1,1,1,3,3-pentafluorobutan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-(4-nitrophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;2-N-(3-methylphenyl)-4-N-prop-2-enyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N,2-N-diethyl-6-(1,1,1,3,3-pentafluorobutan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-(4-nitrophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;2-N-(3-methylphenyl)-4-N-prop-2-enyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine is C=CCNc1nc(Nc2cccc(C)c2)nc(OC(C)C(F)(F)F)n1.CCN(CC)c1nc(Nc2ccccc2)nc(OC(C(C)(F)F)C(F)(F)F)n1.CNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(OCC(F)(F)C(C)F)n1.CNc1nc(Nc2ccccc2)nc(OC(C)C(F)(F)F)n1.CNc1nc(Nc2ccccc2)nc(OCC(F)(F)C(C)F)n1.

What is the InChIKey of 2-N,2-N-diethyl-6-(1,1,1,3,3-pentafluorobutan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-(4-nitrophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;2-N-(3-methylphenyl)-4-N-prop-2-enyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine?

The InChIKey is LYOXKPGCCHDZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F5N5O.C16H18F3N5O.C14H15F3N6O3.C14H16F3N5O.C13H14F3N5O/c1-4-27(5-2)14-24-13(23-11-9-7-6-8-10-11)25-15(26-14)28-12(16(3,18)19)17(20,21)22;1-4-8-20-13-22-14(21-12-7-5-6-10(2)9-12)24-15(23-13)25-11(3)16(17,18)19;1-8(15)14(16,17)7-26-13-21-11(18-2)20-12(22-13)19-9-3-5-10(6-4-9)23(24)25;1-9(15)14(16,17)8-23-13-21-11(18-2)20-12(22-13)19-10-6-4-3-5-7-10;1-8(13(14,15)16)22-12-20-10(17-2)19-11(21-12)18-9-6-4-3-5-7-9/h6-10,12H,4-5H2,1-3H3,(H,23,24,25,26);4-7,9,11H,1,8H2,2-3H3,(H2,20,21,22,23,24);3-6,8H,7H2,1-2H3,(H2,18,19,20,21,22);3-7,9H,8H2,1-2H3,(H2,18,19,20,21,22);3-8H,1-2H3,(H2,17,18,19,20,21).

What are the key properties of 2-N,2-N-diethyl-6-(1,1,1,3,3-pentafluorobutan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-(4-nitrophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;2-N-(3-methylphenyl)-4-N-prop-2-enyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine?

2-N,2-N-diethyl-6-(1,1,1,3,3-pentafluorobutan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-(4-nitrophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;2-N-(3-methylphenyl)-4-N-prop-2-enyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 1771.62 g/mol, XLogP of 17.23, 35 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,2-N-diethyl-6-(1,1,1,3,3-pentafluorobutan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-(4-nitrophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;2-N-(3-methylphenyl)-4-N-prop-2-enyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159494297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).