1,3-bis[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione

C26H23F3N4O2 — CID 58578578

IUPAC1,3-bis[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione
SMILESCc1ccc(Cn2c(Nc3cccc(C(F)(F)F)c3)nc(=O)n(Cc3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C26H23F3N4O2/c1-17-6-10-19(11-7-17)15-32-23(30-22-5-3-4-21(14-22)26(27,28)29)31-24(34)33(25(32)35)16-20-12-8-18(2)9-13-20/h3-14H,15-16H2,1-2H3,(H,30,31,34)
InChIKeyFXWLCWLDOPNWKP-UHFFFAOYSA-N
MW480.49 g/mol
LogP4.88
Rot. Bonds6

About 1,3-bis[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione

1,3-bis[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione (PubChem CID 58578578) has the molecular formula C26H23F3N4O2 and a molecular weight of 480.49 g/mol. Its IUPAC name is 1,3-bis[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name1,3-bis[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione
PubChem CID58578578
Molecular FormulaC26H23F3N4O2
Molecular Weight480.49 g/mol
Exact Mass480.18
IUPAC Name1,3-bis[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione
SMILESCc1ccc(Cn2c(Nc3cccc(C(F)(F)F)c3)nc(=O)n(Cc3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C26H23F3N4O2/c1-17-6-10-19(11-7-17)15-32-23(30-22-5-3-4-21(14-22)26(27,28)29)31-24(34)33(25(32)35)16-20-12-8-18(2)9-13-20/h3-14H,15-16H2,1-2H3,(H,30,31,34)
InChIKeyFXWLCWLDOPNWKP-UHFFFAOYSA-N
XLogP4.88
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione?
The IUPAC name of 1,3-bis[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione (CID 58578578) is 1,3-bis[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 1,3-bis[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione?
The canonical SMILES for 1,3-bis[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione is Cc1ccc(Cn2c(Nc3cccc(C(F)(F)F)c3)nc(=O)n(Cc3ccc(C)cc3)c2=O)cc1.
What is the InChIKey of 1,3-bis[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione?
The InChIKey is FXWLCWLDOPNWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2/c1-17-6-10-19(11-7-17)15-32-23(30-22-5-3-4-21(14-22)26(27,28)29)31-24(34)33(25(32)35)16-20-12-8-18(2)9-13-20/h3-14H,15-16H2,1-2H3,(H,30,31,34).
What are the key properties of 1,3-bis[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione?
1,3-bis[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione has a molecular weight of 480.49 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 58578578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).