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

C24H34ClF3N8O2 — CID 67330135

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

4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 67330135) has the molecular formula C24H34ClF3N8O2 and a molecular weight of 559.04 g/mol. Its IUPAC name is 4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
• PubChem CID: 67330135
• Molecular Formula: C24H34ClF3N8O2
• Molecular Weight: 559.04 g/mol
• Exact Mass: 558.24
• IUPAC Name: 4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
• SMILES: CNc1nc(NC2CCC(C(=O)NCc3ccccc3OC(F)(F)F)CC2)nc(N2CCN(C)CC2)n1.Cl
• InChI: InChI=1S/C24H33F3N8O2.ClH/c1-28-21-31-22(33-23(32-21)35-13-11-34(2)12-14-35)30-18-9-7-16(8-10-18)20(36)29-15-17-5-3-4-6-19(17)37-24(25,26)27;/h3-6,16,18H,7-15H2,1-2H3,(H,29,36)(H2,28,30,31,32,33);1H
• InChIKey: VRZFOGPRWOAYSX-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 107.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.04
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride (CID 67330135) is 4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride.

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

The canonical SMILES for 4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride is CNc1nc(NC2CCC(C(=O)NCc3ccccc3OC(F)(F)F)CC2)nc(N2CCN(C)CC2)n1.Cl.

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

The InChIKey is VRZFOGPRWOAYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F3N8O2.ClH/c1-28-21-31-22(33-23(32-21)35-13-11-34(2)12-14-35)30-18-9-7-16(8-10-18)20(36)29-15-17-5-3-4-6-19(17)37-24(25,26)27;/h3-6,16,18H,7-15H2,1-2H3,(H,29,36)(H2,28,30,31,32,33);1H.

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

4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 559.04 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 67330135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).