3-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one

C14H22BrN3O2 — CID 102937175

IUPAC3-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CC(C)OC(CBr)C2)c1=O
InChIInChI=1S/C14H22BrN3O2/c1-10(2)7-17-5-4-16-13(14(17)19)18-8-11(3)20-12(6-15)9-18/h4-5,10-12H,6-9H2,1-3H3
InChIKeySCRMVZVIUJIWKN-UHFFFAOYSA-N
MW344.25 g/mol
LogP1.89
Rot. Bonds4

About 3-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one

3-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 102937175) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 3-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID102937175
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name3-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CC(C)OC(CBr)C2)c1=O
InChIInChI=1S/C14H22BrN3O2/c1-10(2)7-17-5-4-16-13(14(17)19)18-8-11(3)20-12(6-15)9-18/h4-5,10-12H,6-9H2,1-3H3
InChIKeySCRMVZVIUJIWKN-UHFFFAOYSA-N
XLogP1.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one
CID 133446960
4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 63721569
2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine
CID 102937224
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-methylpyrazin-2-one
CID 102935181
N'-hydroxy-4-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]morpholine-2-carboximidamide
CID 79670685
3-[2-(chloromethyl)-5-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 81209983
3-[3-(chloromethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 55184247
3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63853331
3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 133424216
3-[4-(2-chloroethyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63392127
3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63852836
1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
CID 63810541

Frequently Asked Questions

What is the IUPAC name of 3-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one (CID 102937175) is 3-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(N2CC(C)OC(CBr)C2)c1=O.
What is the InChIKey of 3-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is SCRMVZVIUJIWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-10(2)7-17-5-4-16-13(14(17)19)18-8-11(3)20-12(6-15)9-18/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 3-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one?
3-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 344.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 102937175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).