2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol

C14H13BrN4O — CID 114331591

IUPAC2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol
SMILESOc1ccccc1CNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C14H13BrN4O/c15-13-9-19-11(7-18-14(19)8-17-13)6-16-5-10-3-1-2-4-12(10)20/h1-4,7-9,16,20H,5-6H2
InChIKeySJMCEKBBQBUQAR-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.49
Rot. Bonds4

About 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol

2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol (PubChem CID 114331591) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol
PubChem CID114331591
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol
SMILESOc1ccccc1CNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C14H13BrN4O/c15-13-9-19-11(7-18-14(19)8-17-13)6-16-5-10-3-1-2-4-12(10)20/h1-4,7-9,16,20H,5-6H2
InChIKeySJMCEKBBQBUQAR-UHFFFAOYSA-N
XLogP2.49
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(furan-2-yl)methanamine
CID 79176006
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine
CID 79166111
1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine
CID 79166858
3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile
CID 79165705
[2-[[(6-bromoimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]phenyl]methanol
CID 111432960
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,2-diol
CID 79164166
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dichloroaniline
CID 79164376
1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106369618
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 79164800
1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114107215
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,3-difluoroaniline
CID 79164556
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-N,N-dimethylpropanamide
CID 79164137

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol?
The IUPAC name of 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol (CID 114331591) is 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol.
What is the SMILES notation for 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol?
The canonical SMILES for 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol is Oc1ccccc1CNCc1cnc2cnc(Br)cn12.
What is the InChIKey of 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol?
The InChIKey is SJMCEKBBQBUQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c15-13-9-19-11(7-18-14(19)8-17-13)6-16-5-10-3-1-2-4-12(10)20/h1-4,7-9,16,20H,5-6H2.
What are the key properties of 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol?
2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol has a molecular weight of 333.19 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol is sourced from PubChem (CID 114331591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).