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

C39H48Cl3F3N12O2 — CID 87421590

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

N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide (PubChem CID 87421590) has the molecular formula C39H48Cl3F3N12O2 and a molecular weight of 880.25 g/mol. Its IUPAC name is N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide
• PubChem CID: 87421590
• Molecular Formula: C39H48Cl3F3N12O2
• Molecular Weight: 880.25 g/mol
• Exact Mass: 878.30
• IUPAC Name: N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide
• SMILES: CNc1nc(C)nc(NC2CCC(C(=O)NCc3ccc(Cl)cc3C(F)(F)F)CC2)n1.CNc1nc(C)nc(NC2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)n1
• InChI: InChI=1S/C20H24ClF3N6O.C19H24Cl2N6O/c1-11-27-18(25-2)30-19(28-11)29-15-7-4-12(5-8-15)17(31)26-10-13-3-6-14(21)9-16(13)20(22,23)24;1-11-24-18(22-2)27-19(25-11)26-15-7-4-12(5-8-15)17(28)23-10-13-3-6-14(20)9-16(13)21/h3,6,9,12,15H,4-5,7-8,10H2,1-2H3,(H,26,31)(H2,25,27,28,29,30);3,6,9,12,15H,4-5,7-8,10H2,1-2H3,(H,23,28)(H2,22,24,25,26,27)
• InChIKey: ZCAUTSWRNDSMKX-UHFFFAOYSA-N
• XLogP: 8.00
• TPSA: 183.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	880.25
LogP ≤ 5	8.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide?

The IUPAC name of N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide (CID 87421590) is N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide.

What is the SMILES notation for N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide?

The canonical SMILES for N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide is CNc1nc(C)nc(NC2CCC(C(=O)NCc3ccc(Cl)cc3C(F)(F)F)CC2)n1.CNc1nc(C)nc(NC2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)n1.

What is the InChIKey of N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide?

The InChIKey is ZCAUTSWRNDSMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClF3N6O.C19H24Cl2N6O/c1-11-27-18(25-2)30-19(28-11)29-15-7-4-12(5-8-15)17(31)26-10-13-3-6-14(21)9-16(13)20(22,23)24;1-11-24-18(22-2)27-19(25-11)26-15-7-4-12(5-8-15)17(28)23-10-13-3-6-14(20)9-16(13)21/h3,6,9,12,15H,4-5,7-8,10H2,1-2H3,(H,26,31)(H2,25,27,28,29,30);3,6,9,12,15H,4-5,7-8,10H2,1-2H3,(H,23,28)(H2,22,24,25,26,27).

What are the key properties of N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide?

N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 880.25 g/mol, XLogP of 8.00, 12 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-4-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 87421590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).