2-N-[1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclopropyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine

C86H116Cl2F5N25O3 — CID 160712680

About 2-N-[1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclopropyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine

2-N-[1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclopropyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 160712680) has the molecular formula C86H116Cl2F5N25O3 and a molecular weight of 1713.94 g/mol. Its IUPAC name is 2-N-[1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclopropyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclopropyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 160712680
• Molecular Formula: C86H116Cl2F5N25O3
• Molecular Weight: 1713.94 g/mol
• Exact Mass: 1711.90
• IUPAC Name: 2-N-[1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclopropyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine
• SMILES: CC(C)(F)c1nc(N)nc(NC(CCCc2ccccc2)C2CC2)n1.CC(C)(F)c1nc(N)nc(NC(CCc2ccccc2)C2CCC2)n1.CC(COc1cccc(Cl)c1)Nc1nc(N)nc(C(C)(C)F)n1.CCC(CCc1ccccc1)Nc1nc(N)nc(C(C)(C)F)n1.COc1cc(Cl)cc(OCC(C)Nc2nc(N)nc(C(C)(C)F)n2)c1
• InChI: InChI=1S/2C19H26FN5.C17H24FN5.C16H21ClFN5O2.C15H19ClFN5O/c1-19(2,20)16-23-17(21)25-18(24-16)22-15(14-9-6-10-14)12-11-13-7-4-3-5-8-13;1-19(2,20)16-23-17(21)25-18(24-16)22-15(14-11-12-14)10-6-9-13-7-4-3-5-8-13;1-4-13(11-10-12-8-6-5-7-9-12)20-16-22-14(17(2,3)18)21-15(19)23-16;1-9(8-25-12-6-10(17)5-11(7-12)24-4)20-15-22-13(16(2,3)18)21-14(19)23-15;1-9(8-23-11-6-4-5-10(16)7-11)19-14-21-12(15(2,3)17)20-13(18)22-14/h2*3-5,7-8,14-15H,6,9-12H2,1-2H3,(H3,21,22,23,24,25);5-9,13H,4,10-11H2,1-3H3,(H3,19,20,21,22,23);5-7,9H,8H2,1-4H3,(H3,19,20,21,22,23);4-7,9H,8H2,1-3H3,(H3,18,19,20,21,22)
• InChIKey: RSBJGBZBDWIVGB-UHFFFAOYSA-N
• XLogP: 17.62
• TPSA: 411.29 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 35
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1713.94
LogP ≤ 5	17.62
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclopropyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N-[1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclopropyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine (CID 160712680) is 2-N-[1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclopropyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N-[1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclopropyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N-[1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclopropyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine is CC(C)(F)c1nc(N)nc(NC(CCCc2ccccc2)C2CC2)n1.CC(C)(F)c1nc(N)nc(NC(CCc2ccccc2)C2CCC2)n1.CC(COc1cccc(Cl)c1)Nc1nc(N)nc(C(C)(C)F)n1.CCC(CCc1ccccc1)Nc1nc(N)nc(C(C)(C)F)n1.COc1cc(Cl)cc(OCC(C)Nc2nc(N)nc(C(C)(C)F)n2)c1.

What is the InChIKey of 2-N-[1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclopropyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine?

The InChIKey is RSBJGBZBDWIVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H26FN5.C17H24FN5.C16H21ClFN5O2.C15H19ClFN5O/c1-19(2,20)16-23-17(21)25-18(24-16)22-15(14-9-6-10-14)12-11-13-7-4-3-5-8-13;1-19(2,20)16-23-17(21)25-18(24-16)22-15(14-11-12-14)10-6-9-13-7-4-3-5-8-13;1-4-13(11-10-12-8-6-5-7-9-12)20-16-22-14(17(2,3)18)21-15(19)23-16;1-9(8-25-12-6-10(17)5-11(7-12)24-4)20-15-22-13(16(2,3)18)21-14(19)23-15;1-9(8-23-11-6-4-5-10(16)7-11)19-14-21-12(15(2,3)17)20-13(18)22-14/h2*3-5,7-8,14-15H,6,9-12H2,1-2H3,(H3,21,22,23,24,25);5-9,13H,4,10-11H2,1-3H3,(H3,19,20,21,22,23);5-7,9H,8H2,1-4H3,(H3,19,20,21,22,23);4-7,9H,8H2,1-3H3,(H3,18,19,20,21,22).

What are the key properties of 2-N-[1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclopropyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine?

2-N-[1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclopropyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 1713.94 g/mol, XLogP of 17.62, 35 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[1-(3-chloro-5-methoxyphenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclopropyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 160712680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).