N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]-2-methoxyethanamine

C16H22N4O — CID 63071914

IUPACN-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccccc1N1CCn2ccnc2C1
InChIInChI=1S/C16H22N4O/c1-21-11-7-17-12-14-4-2-3-5-15(14)20-10-9-19-8-6-18-16(19)13-20/h2-6,8,17H,7,9-13H2,1H3
InChIKeyCEAPUTKRFVHVDN-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.64
Rot. Bonds6

About N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]-2-methoxyethanamine

N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]-2-methoxyethanamine (PubChem CID 63071914) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]-2-methoxyethanamine
PubChem CID63071914
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccccc1N1CCn2ccnc2C1
InChIInChI=1S/C16H22N4O/c1-21-11-7-17-12-14-4-2-3-5-15(14)20-10-9-19-8-6-18-16(19)13-20/h2-6,8,17H,7,9-13H2,1H3
InChIKeyCEAPUTKRFVHVDN-UHFFFAOYSA-N
XLogP1.64
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]-2-methoxyethanamine with MolForge

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Related Compounds

2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol
CID 63058807
N-[[2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]propan-1-amine
CID 63026253
2-methoxy-N-[[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 63635351
N-[[2-(2,2-dimethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63060233
N-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 63058738
N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 63059153
N-[[2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63059146
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methyl]-2-methoxyethanamine
CID 79929020
2-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 114056606
1-[2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]-N-methylmethanamine
CID 63024711
3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine
CID 61165939
2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 63058179

Frequently Asked Questions

What is the IUPAC name of N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]-2-methoxyethanamine (CID 63071914) is N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]-2-methoxyethanamine is COCCNCc1ccccc1N1CCn2ccnc2C1.
What is the InChIKey of N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is CEAPUTKRFVHVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-21-11-7-17-12-14-4-2-3-5-15(14)20-10-9-19-8-6-18-16(19)13-20/h2-6,8,17H,7,9-13H2,1H3.
What are the key properties of N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]-2-methoxyethanamine?
N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 286.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63071914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).