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

C9H11ClF3N3O2 — CID 82461230

IUPAC2-[2-[[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]ethanol
SMILESOCCOCCNc1nc(Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C9H11ClF3N3O2/c10-7-5-6(9(11,12)13)15-8(16-7)14-1-3-18-4-2-17/h5,17H,1-4H2,(H,14,15,16)
InChIKeyGIEOLUPXUUPQHC-UHFFFAOYSA-N
MW285.65 g/mol
LogP1.57
Rot. Bonds6

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

2-[2-[[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]ethanol (PubChem CID 82461230) has the molecular formula C9H11ClF3N3O2 and a molecular weight of 285.65 g/mol. Its IUPAC name is 2-[2-[[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]ethanol
PubChem CID82461230
Molecular FormulaC9H11ClF3N3O2
Molecular Weight285.65 g/mol
Exact Mass285.05
IUPAC Name2-[2-[[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]ethanol
SMILESOCCOCCNc1nc(Cl)cc(C(F)(F)F)n1
InChIInChI=1S/C9H11ClF3N3O2/c10-7-5-6(9(11,12)13)15-8(16-7)14-1-3-18-4-2-17/h5,17H,1-4H2,(H,14,15,16)
InChIKeyGIEOLUPXUUPQHC-UHFFFAOYSA-N
XLogP1.57
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.65
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol
CID 60732417
2-[3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]propoxy]ethanol
CID 106311254
2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol
CID 114566256
2-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 106771755
2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62858323
2-[2-[(6-chloropyrazin-2-yl)amino]ethoxy]ethanol
CID 62505407
4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine
CID 115355134
4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565117
2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62864873
2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62864714
2-chloro-N-[2-(2-methylpropoxy)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562937
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565668

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]ethanol (CID 82461230) is 2-[2-[[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]ethanol is OCCOCCNc1nc(Cl)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-[[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]ethanol?
The InChIKey is GIEOLUPXUUPQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3O2/c10-7-5-6(9(11,12)13)15-8(16-7)14-1-3-18-4-2-17/h5,17H,1-4H2,(H,14,15,16).
What are the key properties of 2-[2-[[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]ethanol?
2-[2-[[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]ethanol has a molecular weight of 285.65 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 82461230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).