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

C13H17BrN4O — CID 79164801

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESBrc1cn2c(CNCC3CCCCO3)cnc2cn1
InChIInChI=1S/C13H17BrN4O/c14-12-9-18-10(6-17-13(18)8-16-12)5-15-7-11-3-1-2-4-19-11/h6,8-9,11,15H,1-5,7H2
InChIKeyYUSYBQVIYDWBMD-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.15
Rot. Bonds4

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

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(oxan-2-yl)methanamine (PubChem CID 79164801) 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]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(oxan-2-yl)methanamine
PubChem CID79164801
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESBrc1cn2c(CNCC3CCCCO3)cnc2cn1
InChIInChI=1S/C13H17BrN4O/c14-12-9-18-10(6-17-13(18)8-16-12)5-15-7-11-3-1-2-4-19-11/h6,8-9,11,15H,1-5,7H2
InChIKeyYUSYBQVIYDWBMD-UHFFFAOYSA-N
XLogP2.15
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(oxan-2-yl)methanamine (CID 79164801) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(oxan-2-yl)methanamine is Brc1cn2c(CNCC3CCCCO3)cnc2cn1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(oxan-2-yl)methanamine?
The InChIKey is YUSYBQVIYDWBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c14-12-9-18-10(6-17-13(18)8-16-12)5-15-7-11-3-1-2-4-19-11/h6,8-9,11,15H,1-5,7H2.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(oxan-2-yl)methanamine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(oxan-2-yl)methanamine has a molecular weight of 325.21 g/mol, XLogP of 2.15, 4 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]-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 79164801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).