2-ethoxy-N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)ethanamine

C11H16N4O — CID 115747146

IUPAC2-ethoxy-N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)ethanamine
SMILESCCOCCNCc1cnc2ncccn12
InChIInChI=1S/C11H16N4O/c1-2-16-7-5-12-8-10-9-14-11-13-4-3-6-15(10)11/h3-4,6,9,12H,2,5,7-8H2,1H3
InChIKeyZYIIAJNBCSAIMI-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.86
Rot. Bonds6

About 2-ethoxy-N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)ethanamine

2-ethoxy-N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)ethanamine (PubChem CID 115747146) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-ethoxy-N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)ethanamine
PubChem CID115747146
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-ethoxy-N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)ethanamine
SMILESCCOCCNCc1cnc2ncccn12
InChIInChI=1S/C11H16N4O/c1-2-16-7-5-12-8-10-9-14-11-13-4-3-6-15(10)11/h3-4,6,9,12H,2,5,7-8H2,1H3
InChIKeyZYIIAJNBCSAIMI-UHFFFAOYSA-N
XLogP0.86
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
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-ethoxy-N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)ethanamine?
The IUPAC name of 2-ethoxy-N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)ethanamine (CID 115747146) is 2-ethoxy-N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-ethoxy-N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-ethoxy-N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)ethanamine is CCOCCNCc1cnc2ncccn12.
What is the InChIKey of 2-ethoxy-N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)ethanamine?
The InChIKey is ZYIIAJNBCSAIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-2-16-7-5-12-8-10-9-14-11-13-4-3-6-15(10)11/h3-4,6,9,12H,2,5,7-8H2,1H3.
What are the key properties of 2-ethoxy-N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)ethanamine?
2-ethoxy-N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)ethanamine has a molecular weight of 220.28 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(imidazo[1,2-a]pyrimidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 115747146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).