3-[2-(bromomethyl)-5-methylmorpholin-4-yl]-1-methylpyrazin-2-one

C11H16BrN3O2 — CID 81210569

IUPAC3-[2-(bromomethyl)-5-methylmorpholin-4-yl]-1-methylpyrazin-2-one
SMILESCC1COC(CBr)CN1c1nccn(C)c1=O
InChIInChI=1S/C11H16BrN3O2/c1-8-7-17-9(5-12)6-15(8)10-11(16)14(2)4-3-13-10/h3-4,8-9H,5-7H2,1-2H3
InChIKeyNTCNYQQLMIFUAF-UHFFFAOYSA-N
MW302.17 g/mol
LogP0.77
Rot. Bonds2

About 3-[2-(bromomethyl)-5-methylmorpholin-4-yl]-1-methylpyrazin-2-one

3-[2-(bromomethyl)-5-methylmorpholin-4-yl]-1-methylpyrazin-2-one (PubChem CID 81210569) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 3-[2-(bromomethyl)-5-methylmorpholin-4-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(bromomethyl)-5-methylmorpholin-4-yl]-1-methylpyrazin-2-one
PubChem CID81210569
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name3-[2-(bromomethyl)-5-methylmorpholin-4-yl]-1-methylpyrazin-2-one
SMILESCC1COC(CBr)CN1c1nccn(C)c1=O
InChIInChI=1S/C11H16BrN3O2/c1-8-7-17-9(5-12)6-15(8)10-11(16)14(2)4-3-13-10/h3-4,8-9H,5-7H2,1-2H3
InChIKeyNTCNYQQLMIFUAF-UHFFFAOYSA-N
XLogP0.77
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 50.77
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

2-(bromomethyl)-5-methyl-4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)morpholine
CID 81209530
3-[2-(chloromethyl)-5-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 81209983
2-(bromomethyl)-5-methyl-4-(1,3-thiazol-2-yl)morpholine
CID 81210210
2-(bromomethyl)-5-methyl-4-quinolin-4-ylmorpholine
CID 81210918
3-[2-(chloromethyl)morpholin-4-yl]-1-methylpyrazin-2-one
CID 81210787
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-methylpyrazin-2-one
CID 102935181
2-(bromomethyl)-5-methyl-4-(4-propan-2-yloxypyrimidin-2-yl)morpholine
CID 112639426
4-[2-(aminomethyl)-5-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one
CID 137008636
2-(bromomethyl)-5-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine
CID 114273514
3-[2-(1-aminoethyl)morpholin-4-yl]-1-methylpyrazin-2-one
CID 113285121
3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 138002181
3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid
CID 105382525

Frequently Asked Questions

What is the IUPAC name of 3-[2-(bromomethyl)-5-methylmorpholin-4-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[2-(bromomethyl)-5-methylmorpholin-4-yl]-1-methylpyrazin-2-one (CID 81210569) is 3-[2-(bromomethyl)-5-methylmorpholin-4-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[2-(bromomethyl)-5-methylmorpholin-4-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[2-(bromomethyl)-5-methylmorpholin-4-yl]-1-methylpyrazin-2-one is CC1COC(CBr)CN1c1nccn(C)c1=O.
What is the InChIKey of 3-[2-(bromomethyl)-5-methylmorpholin-4-yl]-1-methylpyrazin-2-one?
The InChIKey is NTCNYQQLMIFUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-8-7-17-9(5-12)6-15(8)10-11(16)14(2)4-3-13-10/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 3-[2-(bromomethyl)-5-methylmorpholin-4-yl]-1-methylpyrazin-2-one?
3-[2-(bromomethyl)-5-methylmorpholin-4-yl]-1-methylpyrazin-2-one has a molecular weight of 302.17 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(bromomethyl)-5-methylmorpholin-4-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 81210569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).