6-bromo-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine

C12H15BrN4O — CID 79946607

IUPAC6-bromo-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESBrc1cn2ccnc2c(NCC2CCCOC2)n1
InChIInChI=1S/C12H15BrN4O/c13-10-7-17-4-3-14-12(17)11(16-10)15-6-9-2-1-5-18-8-9/h3-4,7,9H,1-2,5-6,8H2,(H,15,16)
InChIKeyXICLSOAUUCIYQZ-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.33
Rot. Bonds3

About 6-bromo-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine

6-bromo-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 79946607) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 6-bromo-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID79946607
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name6-bromo-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESBrc1cn2ccnc2c(NCC2CCCOC2)n1
InChIInChI=1S/C12H15BrN4O/c13-10-7-17-4-3-14-12(17)11(16-10)15-6-9-2-1-5-18-8-9/h3-4,7,9H,1-2,5-6,8H2,(H,15,16)
InChIKeyXICLSOAUUCIYQZ-UHFFFAOYSA-N
XLogP2.33
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 80902724
3-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]cyclohexan-1-ol
CID 106137338
8-N-(oxolan-3-ylmethyl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80825476
6-bromo-N-[(2-methylcyclopentyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 107420085
6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 79955875
5-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]pyrrolidin-2-one
CID 79946656
8-N-(cyclobutylmethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80784676
6-bromo-N-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazin-8-amine
CID 79958300
N-(6-bromoimidazo[1,2-a]pyrazin-8-yl)morpholin-4-amine
CID 83023703
3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propanamide
CID 79958127
6-bromo-N-[(1-methoxycyclobutyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 114120554
6-bromo-N-[(1-ethylcyclopentyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 114126338

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine (CID 79946607) is 6-bromo-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine is Brc1cn2ccnc2c(NCC2CCCOC2)n1.
What is the InChIKey of 6-bromo-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is XICLSOAUUCIYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c13-10-7-17-4-3-14-12(17)11(16-10)15-6-9-2-1-5-18-8-9/h3-4,7,9H,1-2,5-6,8H2,(H,15,16).
What are the key properties of 6-bromo-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
6-bromo-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 311.18 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 79946607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).