2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol

C11H15F3N4O — CID 102875779

IUPAC2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol
SMILESNc1nc(N(CCO)C2CCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-6-9(17-10(15)16-8)18(4-5-19)7-2-1-3-7/h6-7,19H,1-5H2,(H2,15,16,17)
InChIKeyHBXCCMDQESUVOD-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.43
Rot. Bonds4

About 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol

2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol (PubChem CID 102875779) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol
PubChem CID102875779
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol
SMILESNc1nc(N(CCO)C2CCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-6-9(17-10(15)16-8)18(4-5-19)7-2-1-3-7/h6-7,19H,1-5H2,(H2,15,16,17)
InChIKeyHBXCCMDQESUVOD-UHFFFAOYSA-N
XLogP1.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol?
The IUPAC name of 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol (CID 102875779) is 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol?
The canonical SMILES for 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol is Nc1nc(N(CCO)C2CCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol?
The InChIKey is HBXCCMDQESUVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)8-6-9(17-10(15)16-8)18(4-5-19)7-2-1-3-7/h6-7,19H,1-5H2,(H2,15,16,17).
What are the key properties of 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol?
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol has a molecular weight of 276.26 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol is sourced from PubChem (CID 102875779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).