4-[6-(chloromethyl)pyrazin-2-yl]-3-methylmorpholine

C10H14ClN3O — CID 66467326

IUPAC4-[6-(chloromethyl)pyrazin-2-yl]-3-methylmorpholine
SMILESCC1COCCN1c1cncc(CCl)n1
InChIInChI=1S/C10H14ClN3O/c1-8-7-15-3-2-14(8)10-6-12-5-9(4-11)13-10/h5-6,8H,2-4,7H2,1H3
InChIKeyZEAQIVVBTMKNGT-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.44
Rot. Bonds2

About 4-[6-(chloromethyl)pyrazin-2-yl]-3-methylmorpholine

4-[6-(chloromethyl)pyrazin-2-yl]-3-methylmorpholine (PubChem CID 66467326) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-[6-(chloromethyl)pyrazin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[6-(chloromethyl)pyrazin-2-yl]-3-methylmorpholine
PubChem CID66467326
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-[6-(chloromethyl)pyrazin-2-yl]-3-methylmorpholine
SMILESCC1COCCN1c1cncc(CCl)n1
InChIInChI=1S/C10H14ClN3O/c1-8-7-15-3-2-14(8)10-6-12-5-9(4-11)13-10/h5-6,8H,2-4,7H2,1H3
InChIKeyZEAQIVVBTMKNGT-UHFFFAOYSA-N
XLogP1.44
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.44
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

4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
4-[6-(chloromethyl)-2-pyridinyl]-3-methylmorpholine
CID 62255022
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
4-[6-(chloromethyl)pyrazin-2-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 66467559
(3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine
CID 169304957
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
(3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine
CID 86691143
N-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62280987
(3R)-4-[2-chloro-6-(isocyanomethyl)pyrimidin-4-yl]-3-methylmorpholine
CID 169304968
4-[6-(chloromethyl)pyrazin-2-yl]-2-ethylmorpholine
CID 66467328
4-(6-chloropyrazin-2-yl)morpholine-3-carboxamide
CID 83095551

Frequently Asked Questions

What is the IUPAC name of 4-[6-(chloromethyl)pyrazin-2-yl]-3-methylmorpholine?
The IUPAC name of 4-[6-(chloromethyl)pyrazin-2-yl]-3-methylmorpholine (CID 66467326) is 4-[6-(chloromethyl)pyrazin-2-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[6-(chloromethyl)pyrazin-2-yl]-3-methylmorpholine?
The canonical SMILES for 4-[6-(chloromethyl)pyrazin-2-yl]-3-methylmorpholine is CC1COCCN1c1cncc(CCl)n1.
What is the InChIKey of 4-[6-(chloromethyl)pyrazin-2-yl]-3-methylmorpholine?
The InChIKey is ZEAQIVVBTMKNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-8-7-15-3-2-14(8)10-6-12-5-9(4-11)13-10/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 4-[6-(chloromethyl)pyrazin-2-yl]-3-methylmorpholine?
4-[6-(chloromethyl)pyrazin-2-yl]-3-methylmorpholine has a molecular weight of 227.69 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(chloromethyl)pyrazin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 66467326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).