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

C9H12F3N3O2 — CID 72864748

IUPAC2-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol
SMILESOCCOCCNc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)8-14-2-1-7(15-8)13-3-5-17-6-4-16/h1-2,16H,3-6H2,(H,13,14,15)
InChIKeyOYSKELGZDJNDLX-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.92
Rot. Bonds6

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

2-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol (PubChem CID 72864748) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol
PubChem CID72864748
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name2-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol
SMILESOCCOCCNc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)8-14-2-1-7(15-8)13-3-5-17-6-4-16/h1-2,16H,3-6H2,(H,13,14,15)
InChIKeyOYSKELGZDJNDLX-UHFFFAOYSA-N
XLogP0.92
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol (CID 72864748) is 2-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol is OCCOCCNc1ccnc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol?
The InChIKey is OYSKELGZDJNDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c10-9(11,12)8-14-2-1-7(15-8)13-3-5-17-6-4-16/h1-2,16H,3-6H2,(H,13,14,15).
What are the key properties of 2-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol?
2-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol has a molecular weight of 251.21 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 72864748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).