6-(bromomethyl)-2,2-dimethyl-4-(6-propoxypyrimidin-4-yl)morpholine

C14H22BrN3O2 — CID 114780964

IUPAC6-(bromomethyl)-2,2-dimethyl-4-(6-propoxypyrimidin-4-yl)morpholine
SMILESCCCOc1cc(N2CC(CBr)OC(C)(C)C2)ncn1
InChIInChI=1S/C14H22BrN3O2/c1-4-5-19-13-6-12(16-10-17-13)18-8-11(7-15)20-14(2,3)9-18/h6,10-11H,4-5,7-9H2,1-3H3
InChIKeyFSFWTQYKZSPMJJ-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.64
Rot. Bonds5

About 6-(bromomethyl)-2,2-dimethyl-4-(6-propoxypyrimidin-4-yl)morpholine

6-(bromomethyl)-2,2-dimethyl-4-(6-propoxypyrimidin-4-yl)morpholine (PubChem CID 114780964) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 6-(bromomethyl)-2,2-dimethyl-4-(6-propoxypyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name6-(bromomethyl)-2,2-dimethyl-4-(6-propoxypyrimidin-4-yl)morpholine
PubChem CID114780964
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name6-(bromomethyl)-2,2-dimethyl-4-(6-propoxypyrimidin-4-yl)morpholine
SMILESCCCOc1cc(N2CC(CBr)OC(C)(C)C2)ncn1
InChIInChI=1S/C14H22BrN3O2/c1-4-5-19-13-6-12(16-10-17-13)18-8-11(7-15)20-14(2,3)9-18/h6,10-11H,4-5,7-9H2,1-3H3
InChIKeyFSFWTQYKZSPMJJ-UHFFFAOYSA-N
XLogP2.64
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.64
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

6-(bromomethyl)-2,2-dimethyl-4-(4-methyl-6-propoxypyrimidin-2-yl)morpholine
CID 114781072
4-(6-ethoxypyrimidin-4-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 128977458
6-(bromomethyl)-2,2-dimethyl-4-pyrazin-2-ylmorpholine
CID 114780992
[6-methyl-4-(6-propoxypyrimidin-4-yl)morpholin-2-yl]methanamine
CID 102938720
6-(bromomethyl)-4-(4,6-dimethylpyrimidin-2-yl)-2,2-dimethylmorpholine
CID 114780970
[1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66334205
6-(bromomethyl)-4-(3-ethoxy-2-pyridinyl)-2,2-dimethylmorpholine
CID 114781073
6-(bromomethyl)-4-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylmorpholine
CID 114780974
4-[3-(chloromethyl)pyrrolidin-1-yl]-6-propoxypyrimidine
CID 66334023
1-(6-propoxypyrimidin-4-yl)piperidin-3-amine
CID 66333796
N-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine
CID 66332385
[4-(6-methoxy-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanamine
CID 114782322

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2,2-dimethyl-4-(6-propoxypyrimidin-4-yl)morpholine?
The IUPAC name of 6-(bromomethyl)-2,2-dimethyl-4-(6-propoxypyrimidin-4-yl)morpholine (CID 114780964) is 6-(bromomethyl)-2,2-dimethyl-4-(6-propoxypyrimidin-4-yl)morpholine.
What is the SMILES notation for 6-(bromomethyl)-2,2-dimethyl-4-(6-propoxypyrimidin-4-yl)morpholine?
The canonical SMILES for 6-(bromomethyl)-2,2-dimethyl-4-(6-propoxypyrimidin-4-yl)morpholine is CCCOc1cc(N2CC(CBr)OC(C)(C)C2)ncn1.
What is the InChIKey of 6-(bromomethyl)-2,2-dimethyl-4-(6-propoxypyrimidin-4-yl)morpholine?
The InChIKey is FSFWTQYKZSPMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-4-5-19-13-6-12(16-10-17-13)18-8-11(7-15)20-14(2,3)9-18/h6,10-11H,4-5,7-9H2,1-3H3.
What are the key properties of 6-(bromomethyl)-2,2-dimethyl-4-(6-propoxypyrimidin-4-yl)morpholine?
6-(bromomethyl)-2,2-dimethyl-4-(6-propoxypyrimidin-4-yl)morpholine has a molecular weight of 344.25 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2,2-dimethyl-4-(6-propoxypyrimidin-4-yl)morpholine is sourced from PubChem (CID 114780964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).