4-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]oxan-4-ol

C13H17BrN4O2 — CID 79597453

IUPAC4-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]oxan-4-ol
SMILESOC1(CNCc2cnc3cnc(Br)cn23)CCOCC1
InChIInChI=1S/C13H17BrN4O2/c14-11-8-18-10(6-17-12(18)7-16-11)5-15-9-13(19)1-3-20-4-2-13/h6-8,15,19H,1-5,9H2
InChIKeyXFZQFGLDRKJNKQ-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.12
Rot. Bonds4

About 4-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]oxan-4-ol

4-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]oxan-4-ol (PubChem CID 79597453) has the molecular formula C13H17BrN4O2 and a molecular weight of 341.21 g/mol. Its IUPAC name is 4-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]oxan-4-ol
PubChem CID79597453
Molecular FormulaC13H17BrN4O2
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Name4-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]oxan-4-ol
SMILESOC1(CNCc2cnc3cnc(Br)cn23)CCOCC1
InChIInChI=1S/C13H17BrN4O2/c14-11-8-18-10(6-17-12(18)7-16-11)5-15-9-13(19)1-3-20-4-2-13/h6-8,15,19H,1-5,9H2
InChIKeyXFZQFGLDRKJNKQ-UHFFFAOYSA-N
XLogP1.12
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]oxan-4-ol (CID 79597453) is 4-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]oxan-4-ol is OC1(CNCc2cnc3cnc(Br)cn23)CCOCC1.
What is the InChIKey of 4-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]oxan-4-ol?
The InChIKey is XFZQFGLDRKJNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2/c14-11-8-18-10(6-17-12(18)7-16-11)5-15-9-13(19)1-3-20-4-2-13/h6-8,15,19H,1-5,9H2.
What are the key properties of 4-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]oxan-4-ol?
4-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]oxan-4-ol has a molecular weight of 341.21 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 79597453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).