6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine

C13H20BrN3O — CID 114780970

IUPAC6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine
SMILESCc1cc(C)nc(N2CC(CBr)OC(C)(C)C2)n1
InChIInChI=1S/C13H20BrN3O/c1-9-5-10(2)16-12(15-9)17-7-11(6-14)18-13(3,4)8-17/h5,11H,6-8H2,1-4H3
InChIKeyAZJUQWJOJPYIIA-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.47
Rot. Bonds2

About 6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine

6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine (PubChem CID 114780970) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine
PubChem CID114780970
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine
SMILESCc1cc(C)nc(N2CC(CBr)OC(C)(C)C2)n1
InChIInChI=1S/C13H20BrN3O/c1-9-5-10(2)16-12(15-9)17-7-11(6-14)18-13(3,4)8-17/h5,11H,6-8H2,1-4H3
InChIKeyAZJUQWJOJPYIIA-UHFFFAOYSA-N
XLogP2.47
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.47
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

6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine
CID 114781072
6-(bromomethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine
CID 114787973
6-(bromomethyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine
CID 114781000
6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine
CID 114780974
6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine
CID 114780992
6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine
CID 114781073
6-(bromomethyl)-2,2-dimethyl-4-(6-propoxypyrimidin-4-yl)morpholine
CID 114780964
6-(bromomethyl)-2,2-dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholine
CID 107306197
6-(bromomethyl)-2,2-dimethyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]morpholine
CID 114781006
(6,6-dimethyl-4-pyrimidin-2-ylmorpholin-2-yl)methanamine
CID 114782260
2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine
CID 122269420
6-(chloromethyl)-2,2-dimethyl-4-(2-methylquinolin-4-yl)morpholine
CID 114780841

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine?
The IUPAC name of 6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine (CID 114780970) is 6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine?
The canonical SMILES for 6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine is Cc1cc(C)nc(N2CC(CBr)OC(C)(C)C2)n1.
What is the InChIKey of 6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine?
The InChIKey is AZJUQWJOJPYIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-9-5-10(2)16-12(15-9)17-7-11(6-14)18-13(3,4)8-17/h5,11H,6-8H2,1-4H3.
What are the key properties of 6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine?
6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine has a molecular weight of 314.23 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine is sourced from PubChem (CID 114780970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).