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

C11H13BrN4O2 — CID 56971075

IUPAC(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methanol
SMILESOCc1cn2cc(Br)nc(N3CCOCC3)c2n1
InChIInChI=1S/C11H13BrN4O2/c12-9-6-16-5-8(7-17)13-10(16)11(14-9)15-1-3-18-4-2-15/h5-6,17H,1-4,7H2
InChIKeyXRKTYENNGKOCQI-UHFFFAOYSA-N
MW313.16 g/mol
LogP0.82
Rot. Bonds2

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

(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methanol (PubChem CID 56971075) has the molecular formula C11H13BrN4O2 and a molecular weight of 313.16 g/mol. Its IUPAC name is (6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methanol.

Molecular Properties

Compound Name(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methanol
PubChem CID56971075
Molecular FormulaC11H13BrN4O2
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methanol
SMILESOCc1cn2cc(Br)nc(N3CCOCC3)c2n1
InChIInChI=1S/C11H13BrN4O2/c12-9-6-16-5-8(7-17)13-10(16)11(14-9)15-1-3-18-4-2-15/h5-6,17H,1-4,7H2
InChIKeyXRKTYENNGKOCQI-UHFFFAOYSA-N
XLogP0.82
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methanol?
The IUPAC name of (6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methanol (CID 56971075) is (6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methanol.
What is the SMILES notation for (6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methanol?
The canonical SMILES for (6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methanol is OCc1cn2cc(Br)nc(N3CCOCC3)c2n1.
What is the InChIKey of (6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methanol?
The InChIKey is XRKTYENNGKOCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2/c12-9-6-16-5-8(7-17)13-10(16)11(14-9)15-1-3-18-4-2-15/h5-6,17H,1-4,7H2.
What are the key properties of (6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methanol?
(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methanol has a molecular weight of 313.16 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methanol is sourced from PubChem (CID 56971075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).