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

C12H17F3N4O — CID 103151163

IUPAC4-cyclopentyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(CCOCC(F)(F)F)nc(C2CCCC2)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)7-20-6-5-9-17-10(19-11(16)18-9)8-3-1-2-4-8/h8H,1-7H2,(H2,16,17,18,19)
InChIKeyAGWUBUIFMDOKPR-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.23
Rot. Bonds5

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

4-cyclopentyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (PubChem CID 103151163) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-cyclopentyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
PubChem CID103151163
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name4-cyclopentyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
SMILESNc1nc(CCOCC(F)(F)F)nc(C2CCCC2)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)7-20-6-5-9-17-10(19-11(16)18-9)8-3-1-2-4-8/h8H,1-7H2,(H2,16,17,18,19)
InChIKeyAGWUBUIFMDOKPR-UHFFFAOYSA-N
XLogP2.23
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.23
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-(2,2-Difluorocyclopentyl)-1,3,5-triazine-2,4-diamine
CID 151228038
6-(3,3-Difluorocyclopentyl)-1,3,5-triazine-2,4-diamine
CID 175495116
4-Cyclopentyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63868491
4-Cyclopentyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 79964697
4-[2-(2,2-Difluoroethoxy)ethyl]-6-propyl-1,3,5-triazin-2-amine
CID 103151157
4-Propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151158
4-Cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151159
4-Cyclopropyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151160
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-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

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopentyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine (CID 103151163) is 4-cyclopentyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is Nc1nc(CCOCC(F)(F)F)nc(C2CCCC2)n1.
What is the InChIKey of 4-cyclopentyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is AGWUBUIFMDOKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)7-20-6-5-9-17-10(19-11(16)18-9)8-3-1-2-4-8/h8H,1-7H2,(H2,16,17,18,19).
What are the key properties of 4-cyclopentyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine?
4-cyclopentyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 290.29 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 103151163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).