2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol

C11H18ClN3O2 — CID 106311213

IUPAC2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol
SMILESCCc1c(Cl)ncnc1NCCCOCCO
InChIInChI=1S/C11H18ClN3O2/c1-2-9-10(12)14-8-15-11(9)13-4-3-6-17-7-5-16/h8,16H,2-7H2,1H3,(H,13,14,15)
InChIKeyGNMQLWPXICTNOC-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.50
Rot. Bonds8

About 2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol

2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol (PubChem CID 106311213) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol
PubChem CID106311213
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol
SMILESCCc1c(Cl)ncnc1NCCCOCCO
InChIInChI=1S/C11H18ClN3O2/c1-2-9-10(12)14-8-15-11(9)13-4-3-6-17-7-5-16/h8,16H,2-7H2,1H3,(H,13,14,15)
InChIKeyGNMQLWPXICTNOC-UHFFFAOYSA-N
XLogP1.50
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.50
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-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol?
The IUPAC name of 2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol (CID 106311213) is 2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol is CCc1c(Cl)ncnc1NCCCOCCO.
What is the InChIKey of 2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol?
The InChIKey is GNMQLWPXICTNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-2-9-10(12)14-8-15-11(9)13-4-3-6-17-7-5-16/h8,16H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol?
2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol has a molecular weight of 259.74 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol is sourced from PubChem (CID 106311213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).