2-[2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol

C8H11ClFN3O2 — CID 79081185

IUPAC2-[2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol
SMILESOCCOCCNc1nc(Cl)ncc1F
InChIInChI=1S/C8H11ClFN3O2/c9-8-12-5-6(10)7(13-8)11-1-3-15-4-2-14/h5,14H,1-4H2,(H,11,12,13)
InChIKeyOZLRIRYUSDNNSI-UHFFFAOYSA-N
MW235.65 g/mol
LogP0.69
Rot. Bonds6

About 2-[2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol

2-[2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol (PubChem CID 79081185) has the molecular formula C8H11ClFN3O2 and a molecular weight of 235.65 g/mol. Its IUPAC name is 2-[2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol
PubChem CID79081185
Molecular FormulaC8H11ClFN3O2
Molecular Weight235.65 g/mol
Exact Mass235.05
IUPAC Name2-[2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol
SMILESOCCOCCNc1nc(Cl)ncc1F
InChIInChI=1S/C8H11ClFN3O2/c9-8-12-5-6(10)7(13-8)11-1-3-15-4-2-14/h5,14H,1-4H2,(H,11,12,13)
InChIKeyOZLRIRYUSDNNSI-UHFFFAOYSA-N
XLogP0.69
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 50.69
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol (CID 79081185) is 2-[2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol is OCCOCCNc1nc(Cl)ncc1F.
What is the InChIKey of 2-[2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol?
The InChIKey is OZLRIRYUSDNNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClFN3O2/c9-8-12-5-6(10)7(13-8)11-1-3-15-4-2-14/h5,14H,1-4H2,(H,11,12,13).
What are the key properties of 2-[2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol?
2-[2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol has a molecular weight of 235.65 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 79081185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).