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

C13H17ClF3N3O — CID 106767480

IUPAC2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclohexylamino]ethanol
SMILESOCCN(c1cc(Cl)nc(C(F)(F)F)n1)C1CCCCC1
InChIInChI=1S/C13H17ClF3N3O/c14-10-8-11(19-12(18-10)13(15,16)17)20(6-7-21)9-4-2-1-3-5-9/h8-9,21H,1-7H2
InChIKeyOWPINDQRSHMVIJ-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.28
Rot. Bonds4

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

2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclohexylamino]ethanol (PubChem CID 106767480) has the molecular formula C13H17ClF3N3O and a molecular weight of 323.75 g/mol. Its IUPAC name is 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclohexylamino]ethanol
PubChem CID106767480
Molecular FormulaC13H17ClF3N3O
Molecular Weight323.75 g/mol
Exact Mass323.10
IUPAC Name2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclohexylamino]ethanol
SMILESOCCN(c1cc(Cl)nc(C(F)(F)F)n1)C1CCCCC1
InChIInChI=1S/C13H17ClF3N3O/c14-10-8-11(19-12(18-10)13(15,16)17)20(6-7-21)9-4-2-1-3-5-9/h8-9,21H,1-7H2
InChIKeyOWPINDQRSHMVIJ-UHFFFAOYSA-N
XLogP3.28
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.28
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]-cyclohexylamino]ethanol?
The IUPAC name of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclohexylamino]ethanol (CID 106767480) is 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclohexylamino]ethanol?
The canonical SMILES for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclohexylamino]ethanol is OCCN(c1cc(Cl)nc(C(F)(F)F)n1)C1CCCCC1.
What is the InChIKey of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclohexylamino]ethanol?
The InChIKey is OWPINDQRSHMVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3O/c14-10-8-11(19-12(18-10)13(15,16)17)20(6-7-21)9-4-2-1-3-5-9/h8-9,21H,1-7H2.
What are the key properties of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclohexylamino]ethanol?
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-cyclohexylamino]ethanol has a molecular weight of 323.75 g/mol, XLogP of 3.28, 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]-cyclohexylamino]ethanol is sourced from PubChem (CID 106767480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).