2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine

C11H16BrN3O — CID 102937224

IUPAC2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine
SMILESCc1nccnc1N1CC(C)OC(CBr)C1
InChIInChI=1S/C11H16BrN3O/c1-8-6-15(7-10(5-12)16-8)11-9(2)13-3-4-14-11/h3-4,8,10H,5-7H2,1-2H3
InChIKeyYQIPLKYGXHLPKV-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.77
Rot. Bonds2

About 2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine

2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine (PubChem CID 102937224) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine
PubChem CID102937224
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine
SMILESCc1nccnc1N1CC(C)OC(CBr)C1
InChIInChI=1S/C11H16BrN3O/c1-8-6-15(7-10(5-12)16-8)11-9(2)13-3-4-14-11/h3-4,8,10H,5-7H2,1-2H3
InChIKeyYQIPLKYGXHLPKV-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
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

2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine
CID 102937171
2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine
CID 102937159
2-(bromomethyl)-4-(5-iodopyrimidin-4-yl)-6-methylmorpholine
CID 102937255
3-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 102937175
4-(5-bromo-3-chloro-2-pyridinyl)-2-(bromomethyl)-6-methylmorpholine
CID 103584210
[4-(3-aminopyrazin-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102976001
4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine
CID 102937271
2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine
CID 102937213
2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine
CID 107875654
2-(chloromethyl)-4-(3-methoxy-2-pyridinyl)-6-methylmorpholine
CID 102937094
2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine
CID 102937216
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-methylpyrazin-2-one
CID 102935181

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine?
The IUPAC name of 2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine (CID 102937224) is 2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine?
The canonical SMILES for 2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine is Cc1nccnc1N1CC(C)OC(CBr)C1.
What is the InChIKey of 2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine?
The InChIKey is YQIPLKYGXHLPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-8-6-15(7-10(5-12)16-8)11-9(2)13-3-4-14-11/h3-4,8,10H,5-7H2,1-2H3.
What are the key properties of 2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine?
2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine has a molecular weight of 286.17 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine is sourced from PubChem (CID 102937224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).