5-fluoro-4-(3-methoxy-3-methylazetidin-1-yl)-2,6-dimethylpyrimidine

C11H16FN3O — CID 126806706

IUPAC5-fluoro-4-(3-methoxy-3-methylazetidin-1-yl)-2,6-dimethylpyrimidine
SMILESCOC1(C)CN(c2nc(C)nc(C)c2F)C1
InChIInChI=1S/C11H16FN3O/c1-7-9(12)10(14-8(2)13-7)15-5-11(3,6-15)16-4/h5-6H2,1-4H3
InChIKeyFLYDIZIIMSDVTJ-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.46
Rot. Bonds2

About 5-fluoro-4-(3-methoxy-3-methylazetidin-1-yl)-2,6-dimethylpyrimidine

5-fluoro-4-(3-methoxy-3-methylazetidin-1-yl)-2,6-dimethylpyrimidine (PubChem CID 126806706) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-fluoro-4-(3-methoxy-3-methylazetidin-1-yl)-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name5-fluoro-4-(3-methoxy-3-methylazetidin-1-yl)-2,6-dimethylpyrimidine
PubChem CID126806706
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name5-fluoro-4-(3-methoxy-3-methylazetidin-1-yl)-2,6-dimethylpyrimidine
SMILESCOC1(C)CN(c2nc(C)nc(C)c2F)C1
InChIInChI=1S/C11H16FN3O/c1-7-9(12)10(14-8(2)13-7)15-5-11(3,6-15)16-4/h5-6H2,1-4H3
InChIKeyFLYDIZIIMSDVTJ-UHFFFAOYSA-N
XLogP1.46
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(3-methoxy-3-methylazetidin-1-yl)-2,6-dimethylpyrimidine?
The IUPAC name of 5-fluoro-4-(3-methoxy-3-methylazetidin-1-yl)-2,6-dimethylpyrimidine (CID 126806706) is 5-fluoro-4-(3-methoxy-3-methylazetidin-1-yl)-2,6-dimethylpyrimidine.
What is the SMILES notation for 5-fluoro-4-(3-methoxy-3-methylazetidin-1-yl)-2,6-dimethylpyrimidine?
The canonical SMILES for 5-fluoro-4-(3-methoxy-3-methylazetidin-1-yl)-2,6-dimethylpyrimidine is COC1(C)CN(c2nc(C)nc(C)c2F)C1.
What is the InChIKey of 5-fluoro-4-(3-methoxy-3-methylazetidin-1-yl)-2,6-dimethylpyrimidine?
The InChIKey is FLYDIZIIMSDVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7-9(12)10(14-8(2)13-7)15-5-11(3,6-15)16-4/h5-6H2,1-4H3.
What are the key properties of 5-fluoro-4-(3-methoxy-3-methylazetidin-1-yl)-2,6-dimethylpyrimidine?
5-fluoro-4-(3-methoxy-3-methylazetidin-1-yl)-2,6-dimethylpyrimidine has a molecular weight of 225.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(3-methoxy-3-methylazetidin-1-yl)-2,6-dimethylpyrimidine is sourced from PubChem (CID 126806706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).