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

C24H32F3N7O2 — CID 59242541

IUPAC4-[[4-amino-6-(azepan-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
SMILESNc1nc(NC2CCC(C(=O)NCc3ccccc3OC(F)(F)F)CC2)nc(N2CCCCCC2)n1
InChIInChI=1S/C24H32F3N7O2/c25-24(26,27)36-19-8-4-3-7-17(19)15-29-20(35)16-9-11-18(12-10-16)30-22-31-21(28)32-23(33-22)34-13-5-1-2-6-14-34/h3-4,7-8,16,18H,1-2,5-6,9-15H2,(H,29,35)(H3,28,30,31,32,33)
InChIKeyJGRPJPHIKJCSMK-UHFFFAOYSA-N
MW507.56 g/mol
LogP4.02
Rot. Bonds7

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

4-[[4-amino-6-(azepan-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 59242541) has the molecular formula C24H32F3N7O2 and a molecular weight of 507.56 g/mol. Its IUPAC name is 4-[[4-amino-6-(azepan-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[4-amino-6-(azepan-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID59242541
Molecular FormulaC24H32F3N7O2
Molecular Weight507.56 g/mol
Exact Mass507.26
IUPAC Name4-[[4-amino-6-(azepan-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
SMILESNc1nc(NC2CCC(C(=O)NCc3ccccc3OC(F)(F)F)CC2)nc(N2CCCCCC2)n1
InChIInChI=1S/C24H32F3N7O2/c25-24(26,27)36-19-8-4-3-7-17(19)15-29-20(35)16-9-11-18(12-10-16)30-22-31-21(28)32-23(33-22)34-13-5-1-2-6-14-34/h3-4,7-8,16,18H,1-2,5-6,9-15H2,(H,29,35)(H3,28,30,31,32,33)
InChIKeyJGRPJPHIKJCSMK-UHFFFAOYSA-N
XLogP4.02
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.56
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[4-amino-6-(azepan-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 59242543
3-[4-(methylamino)-6-[[4-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclohexyl]amino]-1,3,5-triazin-2-yl]benzoic acid
CID 25262226
cis-(1S,3R)-3-[[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 25263005
1-(4-amino-6-phenyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 59447717
1-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25261927
1-(6-methyl-1,3-benzothiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 90611413
(1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 155507572
2-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 55035674
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]cyclohexanecarboxamide
CID 110441771
4-[methyl-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 25260810
N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 61254583

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-6-(azepan-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[4-amino-6-(azepan-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide (CID 59242541) is 4-[[4-amino-6-(azepan-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[4-amino-6-(azepan-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[4-amino-6-(azepan-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide is Nc1nc(NC2CCC(C(=O)NCc3ccccc3OC(F)(F)F)CC2)nc(N2CCCCCC2)n1.
What is the InChIKey of 4-[[4-amino-6-(azepan-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is JGRPJPHIKJCSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N7O2/c25-24(26,27)36-19-8-4-3-7-17(19)15-29-20(35)16-9-11-18(12-10-16)30-22-31-21(28)32-23(33-22)34-13-5-1-2-6-14-34/h3-4,7-8,16,18H,1-2,5-6,9-15H2,(H,29,35)(H3,28,30,31,32,33).
What are the key properties of 4-[[4-amino-6-(azepan-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide?
4-[[4-amino-6-(azepan-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 507.56 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-6-(azepan-1-yl)-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 59242541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).