1-[(4-chlorophenyl)methyl]-6-[4-[[5-(difluoromethoxy)-2-pyridinyl]oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1,3,5-triazine-2,4-dione;1-[(4-chlorophenyl)methyl]-3-[(3-ethyloxetan-3-yl)methyl]-6-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-1,3,5-triazine-2,4-dione;6-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione;methyl (2S)-2-methyl-3-[3-[(4-methylphenyl)methyl]-4-[4-[(5-methyl-2-pyridinyl)oxy]anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanoate

C109H104Cl3F3N20O18 — CID 158744428

About 1-[(4-chlorophenyl)methyl]-6-[4-[[5-(difluoromethoxy)-2-pyridinyl]oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1,3,5-triazine-2,4-dione;1-[(4-chlorophenyl)methyl]-3-[(3-ethyloxetan-3-yl)methyl]-6-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-1,3,5-triazine-2,4-dione;6-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione;methyl (2S)-2-methyl-3-[3-[(4-methylphenyl)methyl]-4-[4-[(5-methyl-2-pyridinyl)oxy]anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanoate

1-[(4-chlorophenyl)methyl]-6-[4-[[5-(difluoromethoxy)-2-pyridinyl]oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1,3,5-triazine-2,4-dione;1-[(4-chlorophenyl)methyl]-3-[(3-ethyloxetan-3-yl)methyl]-6-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-1,3,5-triazine-2,4-dione;6-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione;methyl (2S)-2-methyl-3-[3-[(4-methylphenyl)methyl]-4-[4-[(5-methyl-2-pyridinyl)oxy]anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanoate (PubChem CID 158744428) has the molecular formula C109H104Cl3F3N20O18 and a molecular weight of 2145.51 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-[4-[[5-(difluoromethoxy)-2-pyridinyl]oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1,3,5-triazine-2,4-dione;1-[(4-chlorophenyl)methyl]-3-[(3-ethyloxetan-3-yl)methyl]-6-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-1,3,5-triazine-2,4-dione;6-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione;methyl (2S)-2-methyl-3-[3-[(4-methylphenyl)methyl]-4-[4-[(5-methyl-2-pyridinyl)oxy]anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanoate.

Molecular Properties

• Compound Name: 1-[(4-chlorophenyl)methyl]-6-[4-[[5-(difluoromethoxy)-2-pyridinyl]oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1,3,5-triazine-2,4-dione;1-[(4-chlorophenyl)methyl]-3-[(3-ethyloxetan-3-yl)methyl]-6-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-1,3,5-triazine-2,4-dione;6-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione;methyl (2S)-2-methyl-3-[3-[(4-methylphenyl)methyl]-4-[4-[(5-methyl-2-pyridinyl)oxy]anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanoate
• PubChem CID: 158744428
• Molecular Formula: C109H104Cl3F3N20O18
• Molecular Weight: 2145.51 g/mol
• Exact Mass: 2142.69
• IUPAC Name: 1-[(4-chlorophenyl)methyl]-6-[4-[[5-(difluoromethoxy)-2-pyridinyl]oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1,3,5-triazine-2,4-dione;1-[(4-chlorophenyl)methyl]-3-[(3-ethyloxetan-3-yl)methyl]-6-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-1,3,5-triazine-2,4-dione;6-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione;methyl (2S)-2-methyl-3-[3-[(4-methylphenyl)methyl]-4-[4-[(5-methyl-2-pyridinyl)oxy]anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanoate
• SMILES: CC(=O)[C@@H](C)Cn1c(=O)nc(Nc2ccc(Oc3ccc(Cl)cn3)cc2)n(Cc2ccc(C)cc2)c1=O.CC(=O)[C@@H](C)Cn1c(=O)nc(Nc2ccc(Oc3ccc(OC(F)F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O.CCC1(Cn2c(=O)nc(Nc3ccc(Oc4cccc(F)n4)cc3)n(Cc3ccc(Cl)cc3)c2=O)COC1.COC(=O)[C@@H](C)Cn1c(=O)nc(Nc2ccc(Oc3ccc(C)cn3)cc2)n(Cc2ccc(C)cc2)c1=O
• InChI: InChI=1S/C28H29N5O5.C27H24ClF2N5O5.C27H25ClFN5O4.C27H26ClN5O4/c1-18-5-8-21(9-6-18)17-32-26(31-27(35)33(28(32)36)16-20(3)25(34)37-4)30-22-10-12-23(13-11-22)38-24-14-7-19(2)15-29-24;1-16(17(2)36)14-35-26(37)33-25(34(27(35)38)15-18-3-5-19(28)6-4-18)32-20-7-9-21(10-8-20)39-23-12-11-22(13-31-23)40-24(29)30;1-2-27(16-37-17-27)15-34-25(35)32-24(33(26(34)36)14-18-6-8-19(28)9-7-18)30-20-10-12-21(13-11-20)38-23-5-3-4-22(29)31-23;1-17-4-6-20(7-5-17)16-32-25(31-26(35)33(27(32)36)15-18(2)19(3)34)30-22-9-11-23(12-10-22)37-24-13-8-21(28)14-29-24/h5-15,20H,16-17H2,1-4H3,(H,30,31,35);3-13,16,24H,14-15H2,1-2H3,(H,32,33,37);3-13H,2,14-17H2,1H3,(H,30,32,35);4-14,18H,15-16H2,1-3H3,(H,30,31,35)/t20-;16-;;18-/m00.0/s1
• InChIKey: IMRYTMHMDIIGGA-UCXFJAKRSA-N
• XLogP: 17.85
• TPSA: 443.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 38
• Rotatable Bonds: 38
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2145.51
LogP ≤ 5	17.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-[4-[[5-(difluoromethoxy)-2-pyridinyl]oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1,3,5-triazine-2,4-dione;1-[(4-chlorophenyl)methyl]-3-[(3-ethyloxetan-3-yl)methyl]-6-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-1,3,5-triazine-2,4-dione;6-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione;methyl (2S)-2-methyl-3-[3-[(4-methylphenyl)methyl]-4-[4-[(5-methyl-2-pyridinyl)oxy]anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanoate?

The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-[4-[[5-(difluoromethoxy)-2-pyridinyl]oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1,3,5-triazine-2,4-dione;1-[(4-chlorophenyl)methyl]-3-[(3-ethyloxetan-3-yl)methyl]-6-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-1,3,5-triazine-2,4-dione;6-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione;methyl (2S)-2-methyl-3-[3-[(4-methylphenyl)methyl]-4-[4-[(5-methyl-2-pyridinyl)oxy]anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanoate (CID 158744428) is 1-[(4-chlorophenyl)methyl]-6-[4-[[5-(difluoromethoxy)-2-pyridinyl]oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1,3,5-triazine-2,4-dione;1-[(4-chlorophenyl)methyl]-3-[(3-ethyloxetan-3-yl)methyl]-6-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-1,3,5-triazine-2,4-dione;6-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione;methyl (2S)-2-methyl-3-[3-[(4-methylphenyl)methyl]-4-[4-[(5-methyl-2-pyridinyl)oxy]anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanoate.

What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-[4-[[5-(difluoromethoxy)-2-pyridinyl]oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1,3,5-triazine-2,4-dione;1-[(4-chlorophenyl)methyl]-3-[(3-ethyloxetan-3-yl)methyl]-6-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-1,3,5-triazine-2,4-dione;6-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione;methyl (2S)-2-methyl-3-[3-[(4-methylphenyl)methyl]-4-[4-[(5-methyl-2-pyridinyl)oxy]anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanoate?

The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-[4-[[5-(difluoromethoxy)-2-pyridinyl]oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1,3,5-triazine-2,4-dione;1-[(4-chlorophenyl)methyl]-3-[(3-ethyloxetan-3-yl)methyl]-6-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-1,3,5-triazine-2,4-dione;6-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione;methyl (2S)-2-methyl-3-[3-[(4-methylphenyl)methyl]-4-[4-[(5-methyl-2-pyridinyl)oxy]anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanoate is CC(=O)[C@@H](C)Cn1c(=O)nc(Nc2ccc(Oc3ccc(Cl)cn3)cc2)n(Cc2ccc(C)cc2)c1=O.CC(=O)[C@@H](C)Cn1c(=O)nc(Nc2ccc(Oc3ccc(OC(F)F)cn3)cc2)n(Cc2ccc(Cl)cc2)c1=O.CCC1(Cn2c(=O)nc(Nc3ccc(Oc4cccc(F)n4)cc3)n(Cc3ccc(Cl)cc3)c2=O)COC1.COC(=O)[C@@H](C)Cn1c(=O)nc(Nc2ccc(Oc3ccc(C)cn3)cc2)n(Cc2ccc(C)cc2)c1=O.

What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-[4-[[5-(difluoromethoxy)-2-pyridinyl]oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1,3,5-triazine-2,4-dione;1-[(4-chlorophenyl)methyl]-3-[(3-ethyloxetan-3-yl)methyl]-6-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-1,3,5-triazine-2,4-dione;6-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione;methyl (2S)-2-methyl-3-[3-[(4-methylphenyl)methyl]-4-[4-[(5-methyl-2-pyridinyl)oxy]anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanoate?

The InChIKey is IMRYTMHMDIIGGA-UCXFJAKRSA-N. The full InChI is InChI=1S/C28H29N5O5.C27H24ClF2N5O5.C27H25ClFN5O4.C27H26ClN5O4/c1-18-5-8-21(9-6-18)17-32-26(31-27(35)33(28(32)36)16-20(3)25(34)37-4)30-22-10-12-23(13-11-22)38-24-14-7-19(2)15-29-24;1-16(17(2)36)14-35-26(37)33-25(34(27(35)38)15-18-3-5-19(28)6-4-18)32-20-7-9-21(10-8-20)39-23-12-11-22(13-31-23)40-24(29)30;1-2-27(16-37-17-27)15-34-25(35)32-24(33(26(34)36)14-18-6-8-19(28)9-7-18)30-20-10-12-21(13-11-20)38-23-5-3-4-22(29)31-23;1-17-4-6-20(7-5-17)16-32-25(31-26(35)33(27(32)36)15-18(2)19(3)34)30-22-9-11-23(12-10-22)37-24-13-8-21(28)14-29-24/h5-15,20H,16-17H2,1-4H3,(H,30,31,35);3-13,16,24H,14-15H2,1-2H3,(H,32,33,37);3-13H,2,14-17H2,1H3,(H,30,32,35);4-14,18H,15-16H2,1-3H3,(H,30,31,35)/t20-;16-;;18-/m00.0/s1.

What are the key properties of 1-[(4-chlorophenyl)methyl]-6-[4-[[5-(difluoromethoxy)-2-pyridinyl]oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1,3,5-triazine-2,4-dione;1-[(4-chlorophenyl)methyl]-3-[(3-ethyloxetan-3-yl)methyl]-6-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-1,3,5-triazine-2,4-dione;6-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione;methyl (2S)-2-methyl-3-[3-[(4-methylphenyl)methyl]-4-[4-[(5-methyl-2-pyridinyl)oxy]anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanoate?

1-[(4-chlorophenyl)methyl]-6-[4-[[5-(difluoromethoxy)-2-pyridinyl]oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1,3,5-triazine-2,4-dione;1-[(4-chlorophenyl)methyl]-3-[(3-ethyloxetan-3-yl)methyl]-6-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-1,3,5-triazine-2,4-dione;6-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione;methyl (2S)-2-methyl-3-[3-[(4-methylphenyl)methyl]-4-[4-[(5-methyl-2-pyridinyl)oxy]anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanoate has a molecular weight of 2145.51 g/mol, XLogP of 17.85, 38 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-chlorophenyl)methyl]-6-[4-[[5-(difluoromethoxy)-2-pyridinyl]oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1,3,5-triazine-2,4-dione;1-[(4-chlorophenyl)methyl]-3-[(3-ethyloxetan-3-yl)methyl]-6-[4-[(6-fluoro-2-pyridinyl)oxy]anilino]-1,3,5-triazine-2,4-dione;6-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-3-[(2S)-2-methyl-3-oxobutyl]-1-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4-dione;methyl (2S)-2-methyl-3-[3-[(4-methylphenyl)methyl]-4-[4-[(5-methyl-2-pyridinyl)oxy]anilino]-2,6-dioxo-1,3,5-triazin-1-yl]propanoate is sourced from PubChem (CID 158744428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).