6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine

C11H16BrN3O — CID 114780992

IUPAC6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine
SMILESCC1(C)CN(c2cnccn2)CC(CBr)O1
InChIInChI=1S/C11H16BrN3O/c1-11(2)8-15(7-9(5-12)16-11)10-6-13-3-4-14-10/h3-4,6,9H,5,7-8H2,1-2H3
InChIKeyBYPVAIXVMUSKCO-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.86
Rot. Bonds2

About 6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine

6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine (PubChem CID 114780992) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine.

Molecular Properties

Compound Name6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine
PubChem CID114780992
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine
SMILESCC1(C)CN(c2cnccn2)CC(CBr)O1
InChIInChI=1S/C11H16BrN3O/c1-11(2)8-15(7-9(5-12)16-11)10-6-13-3-4-14-10/h3-4,6,9H,5,7-8H2,1-2H3
InChIKeyBYPVAIXVMUSKCO-UHFFFAOYSA-N
XLogP1.86
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(chloromethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine
CID 114780846
6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine
CID 114780970
6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine
CID 114781073
6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine
CID 114780974
3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbothioamide
CID 114776973
[4-[4-[(1S)-1-aminoethyl]-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 104969852
[4-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 104969828
6-(bromomethyl)-2,2-dimethyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine
CID 114781006
2-[3-(bromomethyl)piperidin-1-yl]pyrazine
CID 80674587
(6,6-dimethyl-4-pyrimidin-2-ylmorpholin-2-yl)methanamine
CID 114782260
(6R)-6-(methoxymethyl)-2,2-dimethyl-4-(1,6-naphthyridin-4-yl)morpholine
CID 129482266
6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine
CID 114781072

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine?
The IUPAC name of 6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine (CID 114780992) is 6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine.
What is the SMILES notation for 6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine?
The canonical SMILES for 6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine is CC1(C)CN(c2cnccn2)CC(CBr)O1.
What is the InChIKey of 6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine?
The InChIKey is BYPVAIXVMUSKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-11(2)8-15(7-9(5-12)16-11)10-6-13-3-4-14-10/h3-4,6,9H,5,7-8H2,1-2H3.
What are the key properties of 6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine?
6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine has a molecular weight of 286.17 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine is sourced from PubChem (CID 114780992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).