N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine

C13H17BrN4O — CID 79164150

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESBrc1cn2c(CNCCC3CCCO3)cnc2cn1
InChIInChI=1S/C13H17BrN4O/c14-12-9-18-10(7-17-13(18)8-16-12)6-15-4-3-11-2-1-5-19-11/h7-9,11,15H,1-6H2
InChIKeyIMDGVFCLYDTVFW-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.15
Rot. Bonds5

About N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine (PubChem CID 79164150) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
PubChem CID79164150
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESBrc1cn2c(CNCCC3CCCO3)cnc2cn1
InChIInChI=1S/C13H17BrN4O/c14-12-9-18-10(7-17-13(18)8-16-12)6-15-4-3-11-2-1-5-19-11/h7-9,11,15H,1-6H2
InChIKeyIMDGVFCLYDTVFW-UHFFFAOYSA-N
XLogP2.15
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.15
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 N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine (CID 79164150) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine is Brc1cn2c(CNCCC3CCCO3)cnc2cn1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The InChIKey is IMDGVFCLYDTVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c14-12-9-18-10(7-17-13(18)8-16-12)6-15-4-3-11-2-1-5-19-11/h7-9,11,15H,1-6H2.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine has a molecular weight of 325.21 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 79164150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).