4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide

C25H27F3N6O — CID 25261125

IUPAC4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESCNc1nc(NC2CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C25H27F3N6O/c1-29-23-32-21(17-7-3-2-4-8-17)33-24(34-23)31-20-12-10-18(11-13-20)22(35)30-15-16-6-5-9-19(14-16)25(26,27)28/h2-9,14,18,20H,10-13,15H2,1H3,(H,30,35)(H2,29,31,32,33,34)
InChIKeyXYEHWFKOGFVEAD-UHFFFAOYSA-N
MW484.53 g/mol
LogP4.89
Rot. Bonds7

About 4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide

4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 25261125) has the molecular formula C25H27F3N6O and a molecular weight of 484.53 g/mol. Its IUPAC name is 4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID25261125
Molecular FormulaC25H27F3N6O
Molecular Weight484.53 g/mol
Exact Mass484.22
IUPAC Name4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESCNc1nc(NC2CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C25H27F3N6O/c1-29-23-32-21(17-7-3-2-4-8-17)33-24(34-23)31-20-12-10-18(11-13-20)22(35)30-15-16-6-5-9-19(14-16)25(26,27)28/h2-9,14,18,20H,10-13,15H2,1H3,(H,30,35)(H2,29,31,32,33,34)
InChIKeyXYEHWFKOGFVEAD-UHFFFAOYSA-N
XLogP4.89
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide (CID 25261125) is 4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide is CNc1nc(NC2CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is XYEHWFKOGFVEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O/c1-29-23-32-21(17-7-3-2-4-8-17)33-24(34-23)31-20-12-10-18(11-13-20)22(35)30-15-16-6-5-9-19(14-16)25(26,27)28/h2-9,14,18,20H,10-13,15H2,1H3,(H,30,35)(H2,29,31,32,33,34).
What are the key properties of 4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide?
4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 4.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 25261125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).