2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol

C9H15N3O2 — CID 62759524

IUPAC2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol
SMILESOCCOCCNCc1cncnc1
InChIInChI=1S/C9H15N3O2/c13-2-4-14-3-1-10-5-9-6-11-8-12-7-9/h6-8,10,13H,1-5H2
InChIKeyJRGIAOVEPMOWPC-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.42
Rot. Bonds7

About 2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol

2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol (PubChem CID 62759524) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol
PubChem CID62759524
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol
SMILESOCCOCCNCc1cncnc1
InChIInChI=1S/C9H15N3O2/c13-2-4-14-3-1-10-5-9-6-11-8-12-7-9/h6-8,10,13H,1-5H2
InChIKeyJRGIAOVEPMOWPC-UHFFFAOYSA-N
XLogP-0.42
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.42
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-(pyrimidin-5-ylmethylamino)ethoxy]acetamide
CID 106235813
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
2-[2-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]ethoxy]ethanol
CID 102536476
2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol
CID 17155127
2-[2-[[3-(hydroxymethyl)phenyl]methylamino]ethoxy]ethanol
CID 107230613
2-[2-(furan-3-ylmethylamino)ethoxy]ethanol
CID 63032955
2-methylsulfanyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62997720
4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol
CID 28727979
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol
CID 17155563
methyl 3-(pyrimidin-5-ylmethylamino)propanoate
CID 62758953
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594464
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594890

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol (CID 62759524) is 2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol is OCCOCCNCc1cncnc1.
What is the InChIKey of 2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol?
The InChIKey is JRGIAOVEPMOWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c13-2-4-14-3-1-10-5-9-6-11-8-12-7-9/h6-8,10,13H,1-5H2.
What are the key properties of 2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol?
2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol has a molecular weight of 197.24 g/mol, XLogP of -0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyrimidin-5-ylmethylamino)ethoxy]ethanol is sourced from PubChem (CID 62759524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).