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

C13H20F2N4O — CID 103151166

IUPAC4-cyclohexyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(CCOCC(F)F)nc(C2CCCCC2)n1
InChIInChI=1S/C13H20F2N4O/c14-10(15)8-20-7-6-11-17-12(19-13(16)18-11)9-4-2-1-3-5-9/h9-10H,1-8H2,(H2,16,17,18,19)
InChIKeyYBOOKWMYVYQTSR-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.33
Rot. Bonds6

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

4-cyclohexyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 103151166) has the molecular formula C13H20F2N4O and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-cyclohexyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID103151166
Molecular FormulaC13H20F2N4O
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC Name4-cyclohexyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(CCOCC(F)F)nc(C2CCCCC2)n1
InChIInChI=1S/C13H20F2N4O/c14-10(15)8-20-7-6-11-17-12(19-13(16)18-11)9-4-2-1-3-5-9/h9-10H,1-8H2,(H2,16,17,18,19)
InChIKeyYBOOKWMYVYQTSR-UHFFFAOYSA-N
XLogP2.33
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151165
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-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclohexyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine (CID 103151166) is 4-cyclohexyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclohexyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclohexyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine is Nc1nc(CCOCC(F)F)nc(C2CCCCC2)n1.
What is the InChIKey of 4-cyclohexyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is YBOOKWMYVYQTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4O/c14-10(15)8-20-7-6-11-17-12(19-13(16)18-11)9-4-2-1-3-5-9/h9-10H,1-8H2,(H2,16,17,18,19).
What are the key properties of 4-cyclohexyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
4-cyclohexyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 286.33 g/mol, XLogP of 2.33, 6 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-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 103151166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).