2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol

C11H16N4O2 — CID 114243521

IUPAC2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol
SMILESCN(CCOCCO)c1ccn2nccc2n1
InChIInChI=1S/C11H16N4O2/c1-14(6-8-17-9-7-16)10-3-5-15-11(13-10)2-4-12-15/h2-5,16H,6-9H2,1H3
InChIKeyCMUAGAYWIKHDNC-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.17
Rot. Bonds6

About 2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol

2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol (PubChem CID 114243521) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol
PubChem CID114243521
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol
SMILESCN(CCOCCO)c1ccn2nccc2n1
InChIInChI=1S/C11H16N4O2/c1-14(6-8-17-9-7-16)10-3-5-15-11(13-10)2-4-12-15/h2-5,16H,6-9H2,1H3
InChIKeyCMUAGAYWIKHDNC-UHFFFAOYSA-N
XLogP0.17
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[propan-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethanol
CID 115372880
N',2-dimethyl-N'-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
CID 115372172
methyl 2-[(2-methoxy-2-oxoethyl)-pyrazolo[1,5-a]pyrimidin-5-ylamino]acetate
CID 115372990
2-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide
CID 113296606
4-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile
CID 115372193
N'-ethyl-N'-pyrazolo[1,5-a]pyrimidin-5-ylethane-1,2-diamine
CID 115373260
2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101064678
2-[pyrazolo[1,5-a]pyrimidin-5-yl(quinolin-8-yl)amino]ethanol
CID 90831675
3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile
CID 115372194
N-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372174
3-[cyclopropyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide
CID 115372209
N-methyl-N'-propyl-N'-pyrazolo[1,5-a]pyrimidin-5-ylethane-1,2-diamine
CID 115373053

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol (CID 114243521) is 2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol is CN(CCOCCO)c1ccn2nccc2n1.
What is the InChIKey of 2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol?
The InChIKey is CMUAGAYWIKHDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-14(6-8-17-9-7-16)10-3-5-15-11(13-10)2-4-12-15/h2-5,16H,6-9H2,1H3.
What are the key properties of 2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol?
2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol has a molecular weight of 236.28 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 114243521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).