2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclopentylamino]ethanol

C12H15ClF3N3O — CID 106767482

IUPAC2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclopentylamino]ethanol
SMILESOCCN(c1cc(Cl)nc(C(F)(F)F)n1)C1CCCC1
InChIInChI=1S/C12H15ClF3N3O/c13-9-7-10(18-11(17-9)12(14,15)16)19(5-6-20)8-3-1-2-4-8/h7-8,20H,1-6H2
InChIKeyFYNJZBQCOPMZIJ-UHFFFAOYSA-N
MW309.72 g/mol
LogP2.89
Rot. Bonds4

About 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclopentylamino]ethanol

2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclopentylamino]ethanol (PubChem CID 106767482) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclopentylamino]ethanol.

Molecular Properties

Compound Name2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclopentylamino]ethanol
PubChem CID106767482
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclopentylamino]ethanol
SMILESOCCN(c1cc(Cl)nc(C(F)(F)F)n1)C1CCCC1
InChIInChI=1S/C12H15ClF3N3O/c13-9-7-10(18-11(17-9)12(14,15)16)19(5-6-20)8-3-1-2-4-8/h7-8,20H,1-6H2
InChIKeyFYNJZBQCOPMZIJ-UHFFFAOYSA-N
XLogP2.89
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclopentylamino]ethanol?
The IUPAC name of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclopentylamino]ethanol (CID 106767482) is 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclopentylamino]ethanol.
What is the SMILES notation for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclopentylamino]ethanol?
The canonical SMILES for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclopentylamino]ethanol is OCCN(c1cc(Cl)nc(C(F)(F)F)n1)C1CCCC1.
What is the InChIKey of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclopentylamino]ethanol?
The InChIKey is FYNJZBQCOPMZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c13-9-7-10(18-11(17-9)12(14,15)16)19(5-6-20)8-3-1-2-4-8/h7-8,20H,1-6H2.
What are the key properties of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclopentylamino]ethanol?
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclopentylamino]ethanol has a molecular weight of 309.72 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclopentylamino]ethanol is sourced from PubChem (CID 106767482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).