4-[6-bromo-2-(chloromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine

C11H12BrClN4O — CID 71742157

IUPAC4-[6-bromo-2-(chloromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESClCc1cn2cc(Br)nc(N3CCOCC3)c2n1
InChIInChI=1S/C11H12BrClN4O/c12-9-7-17-6-8(5-13)14-10(17)11(15-9)16-1-3-18-4-2-16/h6-7H,1-5H2
InChIKeyHJRORMLFDOYZDM-UHFFFAOYSA-N
MW331.60 g/mol
LogP2.07
Rot. Bonds2

About 4-[6-bromo-2-(chloromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[6-bromo-2-(chloromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 71742157) has the molecular formula C11H12BrClN4O and a molecular weight of 331.60 g/mol. Its IUPAC name is 4-[6-bromo-2-(chloromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[6-bromo-2-(chloromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID71742157
Molecular FormulaC11H12BrClN4O
Molecular Weight331.60 g/mol
Exact Mass329.99
IUPAC Name4-[6-bromo-2-(chloromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESClCc1cn2cc(Br)nc(N3CCOCC3)c2n1
InChIInChI=1S/C11H12BrClN4O/c12-9-7-17-6-8(5-13)14-10(17)11(15-9)16-1-3-18-4-2-16/h6-7H,1-5H2
InChIKeyHJRORMLFDOYZDM-UHFFFAOYSA-N
XLogP2.07
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.60
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[6-bromo-2-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 56971078
N-[(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methyl]acetamide
CID 175883938
N-(2-aminoethyl)-6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 162374424
6-bromo-N-methyl-N-[2-(methylamino)ethyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 167528924
2-[6-bromo-2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]ethanol
CID 52917384
3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol
CID 57394839
ethyl 6-bromo-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 162374440
4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-pyrimidin-5-ylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 70697346
4-[4-(chloromethyl)pyrimidin-2-yl]morpholine
CID 62747047
(8-methyl-6-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methanamine
CID 117099338
4-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 90067912
4-(6-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)morpholine
CID 169077602

Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-2-(chloromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[6-bromo-2-(chloromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 71742157) is 4-[6-bromo-2-(chloromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[6-bromo-2-(chloromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[6-bromo-2-(chloromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is ClCc1cn2cc(Br)nc(N3CCOCC3)c2n1.
What is the InChIKey of 4-[6-bromo-2-(chloromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is HJRORMLFDOYZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN4O/c12-9-7-17-6-8(5-13)14-10(17)11(15-9)16-1-3-18-4-2-16/h6-7H,1-5H2.
What are the key properties of 4-[6-bromo-2-(chloromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[6-bromo-2-(chloromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 331.60 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-2-(chloromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 71742157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).