2-(chloromethyl)-4-(5,6-dimethylpyrazin-2-yl)morpholine

C11H16ClN3O — CID 114477545

IUPAC2-(chloromethyl)-4-(5,6-dimethylpyrazin-2-yl)morpholine
SMILESCc1ncc(N2CCOC(CCl)C2)nc1C
InChIInChI=1S/C11H16ClN3O/c1-8-9(2)14-11(6-13-8)15-3-4-16-10(5-12)7-15/h6,10H,3-5,7H2,1-2H3
InChIKeyLYEMARGAIBWJEI-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.54
Rot. Bonds2

About 2-(chloromethyl)-4-(5,6-dimethylpyrazin-2-yl)morpholine

2-(chloromethyl)-4-(5,6-dimethylpyrazin-2-yl)morpholine (PubChem CID 114477545) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(5,6-dimethylpyrazin-2-yl)morpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(5,6-dimethylpyrazin-2-yl)morpholine
PubChem CID114477545
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-(chloromethyl)-4-(5,6-dimethylpyrazin-2-yl)morpholine
SMILESCc1ncc(N2CCOC(CCl)C2)nc1C
InChIInChI=1S/C11H16ClN3O/c1-8-9(2)14-11(6-13-8)15-3-4-16-10(5-12)7-15/h6,10H,3-5,7H2,1-2H3
InChIKeyLYEMARGAIBWJEI-UHFFFAOYSA-N
XLogP1.54
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(5,6-dimethylpyrazin-2-yl)morpholine?
The IUPAC name of 2-(chloromethyl)-4-(5,6-dimethylpyrazin-2-yl)morpholine (CID 114477545) is 2-(chloromethyl)-4-(5,6-dimethylpyrazin-2-yl)morpholine.
What is the SMILES notation for 2-(chloromethyl)-4-(5,6-dimethylpyrazin-2-yl)morpholine?
The canonical SMILES for 2-(chloromethyl)-4-(5,6-dimethylpyrazin-2-yl)morpholine is Cc1ncc(N2CCOC(CCl)C2)nc1C.
What is the InChIKey of 2-(chloromethyl)-4-(5,6-dimethylpyrazin-2-yl)morpholine?
The InChIKey is LYEMARGAIBWJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-9(2)14-11(6-13-8)15-3-4-16-10(5-12)7-15/h6,10H,3-5,7H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-(5,6-dimethylpyrazin-2-yl)morpholine?
2-(chloromethyl)-4-(5,6-dimethylpyrazin-2-yl)morpholine has a molecular weight of 241.72 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(5,6-dimethylpyrazin-2-yl)morpholine is sourced from PubChem (CID 114477545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).