2-[6-bromo-2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]ethanol

C13H17BrN4O3 — CID 52917384

IUPAC2-[6-bromo-2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]ethanol
SMILESOCCc1c(CO)nc2c(N3CCOCC3)nc(Br)cn12
InChIInChI=1S/C13H17BrN4O3/c14-11-7-18-10(1-4-19)9(8-20)15-13(18)12(16-11)17-2-5-21-6-3-17/h7,19-20H,1-6,8H2
InChIKeyMSDONWDBTYILNP-UHFFFAOYSA-N
MW357.21 g/mol
LogP0.36
Rot. Bonds4

About 2-[6-bromo-2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]ethanol

2-[6-bromo-2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]ethanol (PubChem CID 52917384) has the molecular formula C13H17BrN4O3 and a molecular weight of 357.21 g/mol. Its IUPAC name is 2-[6-bromo-2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]ethanol.

Molecular Properties

Compound Name2-[6-bromo-2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]ethanol
PubChem CID52917384
Molecular FormulaC13H17BrN4O3
Molecular Weight357.21 g/mol
Exact Mass356.05
IUPAC Name2-[6-bromo-2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]ethanol
SMILESOCCc1c(CO)nc2c(N3CCOCC3)nc(Br)cn12
InChIInChI=1S/C13H17BrN4O3/c14-11-7-18-10(1-4-19)9(8-20)15-13(18)12(16-11)17-2-5-21-6-3-17/h7,19-20H,1-6,8H2
InChIKeyMSDONWDBTYILNP-UHFFFAOYSA-N
XLogP0.36
TPSA83.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]ethanol?
The IUPAC name of 2-[6-bromo-2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]ethanol (CID 52917384) is 2-[6-bromo-2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]ethanol.
What is the SMILES notation for 2-[6-bromo-2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]ethanol?
The canonical SMILES for 2-[6-bromo-2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]ethanol is OCCc1c(CO)nc2c(N3CCOCC3)nc(Br)cn12.
What is the InChIKey of 2-[6-bromo-2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]ethanol?
The InChIKey is MSDONWDBTYILNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O3/c14-11-7-18-10(1-4-19)9(8-20)15-13(18)12(16-11)17-2-5-21-6-3-17/h7,19-20H,1-6,8H2.
What are the key properties of 2-[6-bromo-2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]ethanol?
2-[6-bromo-2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]ethanol has a molecular weight of 357.21 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-2-(hydroxymethyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]ethanol is sourced from PubChem (CID 52917384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).