6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine

C13H19BrN2O2 — CID 114869831

IUPAC6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine
SMILESCc1cc(OCC2CNCC(C)(C)O2)ncc1Br
InChIInChI=1S/C13H19BrN2O2/c1-9-4-12(16-6-11(9)14)17-7-10-5-15-8-13(2,3)18-10/h4,6,10,15H,5,7-8H2,1-3H3
InChIKeyBIRHBKCPABCWHM-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.30
Rot. Bonds3

About 6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine

6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine (PubChem CID 114869831) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine
PubChem CID114869831
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine
SMILESCc1cc(OCC2CNCC(C)(C)O2)ncc1Br
InChIInChI=1S/C13H19BrN2O2/c1-9-4-12(16-6-11(9)14)17-7-10-5-15-8-13(2,3)18-10/h4,6,10,15H,5,7-8H2,1-3H3
InChIKeyBIRHBKCPABCWHM-UHFFFAOYSA-N
XLogP2.30
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(5-bromopyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775968
6-[(6-methoxy-2-methylpyrimidin-4-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775678
6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile
CID 114775825
6-[(4-methoxy-6-methylpyrimidin-2-yl)oxymethyl]-2,2-dimethylmorpholine
CID 114775691
2,2-dimethyl-6-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)oxymethyl]morpholine
CID 114775692
7-[(6,6-dimethylmorpholin-2-yl)methoxy]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114775928
2,2-dimethyl-6-[(6-propoxypyrazin-2-yl)oxymethyl]morpholine
CID 114775746
2,2-dimethyl-6-[(4-methylpyrimidin-2-yl)oxymethyl]morpholine
CID 114775795
6-[(5-chloro-3-nitro-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine
CID 114775810
4-[(6,6-dimethylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114775696
5-bromo-2-(cyclopentylmethoxy)-4-methylpyridine
CID 114870777
2,2-dimethyl-6-[(1-methylimidazol-2-yl)oxymethyl]morpholine
CID 114775834

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine?
The IUPAC name of 6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine (CID 114869831) is 6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine?
The canonical SMILES for 6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine is Cc1cc(OCC2CNCC(C)(C)O2)ncc1Br.
What is the InChIKey of 6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine?
The InChIKey is BIRHBKCPABCWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-9-4-12(16-6-11(9)14)17-7-10-5-15-8-13(2,3)18-10/h4,6,10,15H,5,7-8H2,1-3H3.
What are the key properties of 6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine?
6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine has a molecular weight of 315.21 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-4-methyl-2-pyridinyl)oxymethyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 114869831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).