4-cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine

C13H19F3N4O — CID 103151165

IUPAC4-cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(CCOCC(F)(F)F)nc(C2CCCCC2)n1
InChIInChI=1S/C13H19F3N4O/c14-13(15,16)8-21-7-6-10-18-11(20-12(17)19-10)9-4-2-1-3-5-9/h9H,1-8H2,(H2,17,18,19,20)
InChIKeyMHNSBCZSXACQHB-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.62
Rot. Bonds5

About 4-cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine

4-cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 103151165) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID103151165
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name4-cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(CCOCC(F)(F)F)nc(C2CCCCC2)n1
InChIInChI=1S/C13H19F3N4O/c14-13(15,16)8-21-7-6-10-18-11(20-12(17)19-10)9-4-2-1-3-5-9/h9H,1-8H2,(H2,17,18,19,20)
InChIKeyMHNSBCZSXACQHB-UHFFFAOYSA-N
XLogP2.62
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine 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

6-(4,4-Difluorocyclohexyl)-1,3,5-triazine-2,4-diamine
CID 112681579
4-Cyclohexyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63867780
4-Cyclohexyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 79964781
4-Cyclopentyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151163
4-Cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151164
4-Cyclohexyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151166
4-Cycloheptyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151169
4-Cyclopentyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476940
4-Cyclopentyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
CID 103476941
4-Cyclohexyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476942
4-Cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476944
6-[4-(Trifluoromethyl)cyclohexyl]-1,3,5-triazine-2,4-diamine
CID 112681426

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (CID 103151165) is 4-cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is Nc1nc(CCOCC(F)(F)F)nc(C2CCCCC2)n1.
What is the InChIKey of 4-cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is MHNSBCZSXACQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c14-13(15,16)8-21-7-6-10-18-11(20-12(17)19-10)9-4-2-1-3-5-9/h9H,1-8H2,(H2,17,18,19,20).
What are the key properties of 4-cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
4-cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 304.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 103151165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).