4-cyclopentyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine

C11H15F3N4O — CID 103476940

IUPAC4-cyclopentyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(COCC(F)(F)F)nc(C2CCCC2)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)6-19-5-8-16-9(18-10(15)17-8)7-3-1-2-4-7/h7H,1-6H2,(H2,15,16,17,18)
InChIKeyLLNMDGCHHCNADH-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.19
Rot. Bonds4

About 4-cyclopentyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine

4-cyclopentyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 103476940) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-cyclopentyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
PubChem CID103476940
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name4-cyclopentyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(COCC(F)(F)F)nc(C2CCCC2)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)6-19-5-8-16-9(18-10(15)17-8)7-3-1-2-4-7/h7H,1-6H2,(H2,15,16,17,18)
InChIKeyLLNMDGCHHCNADH-UHFFFAOYSA-N
XLogP2.19
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-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-Cyclohexyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151166
4-Propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476934
4-Propan-2-yl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
CID 103476935
4-Cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476936
4-Cyclopropyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
CID 103476937
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

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopentyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (CID 103476940) is 4-cyclopentyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is Nc1nc(COCC(F)(F)F)nc(C2CCCC2)n1.
What is the InChIKey of 4-cyclopentyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is LLNMDGCHHCNADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)6-19-5-8-16-9(18-10(15)17-8)7-3-1-2-4-7/h7H,1-6H2,(H2,15,16,17,18).
What are the key properties of 4-cyclopentyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
4-cyclopentyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 276.26 g/mol, XLogP of 2.19, 4 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-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103476940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).