5-[[(2S)-azetidin-2-yl]methoxy]pyrimidine

C8H11N3O — CID 10464674

IUPAC5-[[(2S)-azetidin-2-yl]methoxy]pyrimidine
SMILESc1ncc(OC[C@@H]2CCN2)cn1
InChIInChI=1S/C8H11N3O/c1-2-11-7(1)5-12-8-3-9-6-10-4-8/h3-4,6-7,11H,1-2,5H2/t7-/m0/s1
InChIKeyXOYWIKDUNYLVAF-ZETCQYMHSA-N
MW165.20 g/mol
LogP0.22
Rot. Bonds3

About 5-[[(2S)-azetidin-2-yl]methoxy]pyrimidine

5-[[(2S)-azetidin-2-yl]methoxy]pyrimidine (PubChem CID 10464674) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-[[(2S)-azetidin-2-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-[[(2S)-azetidin-2-yl]methoxy]pyrimidine
PubChem CID10464674
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5-[[(2S)-azetidin-2-yl]methoxy]pyrimidine
SMILESc1ncc(OC[C@@H]2CCN2)cn1
InChIInChI=1S/C8H11N3O/c1-2-11-7(1)5-12-8-3-9-6-10-4-8/h3-4,6-7,11H,1-2,5H2/t7-/m0/s1
InChIKeyXOYWIKDUNYLVAF-ZETCQYMHSA-N
XLogP0.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(2S)-azetidin-2-yl]methoxy]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-azetidin-2-yl]methoxy]pyrimidine?
The IUPAC name of 5-[[(2S)-azetidin-2-yl]methoxy]pyrimidine (CID 10464674) is 5-[[(2S)-azetidin-2-yl]methoxy]pyrimidine.
What is the SMILES notation for 5-[[(2S)-azetidin-2-yl]methoxy]pyrimidine?
The canonical SMILES for 5-[[(2S)-azetidin-2-yl]methoxy]pyrimidine is c1ncc(OC[C@@H]2CCN2)cn1.
What is the InChIKey of 5-[[(2S)-azetidin-2-yl]methoxy]pyrimidine?
The InChIKey is XOYWIKDUNYLVAF-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-11-7(1)5-12-8-3-9-6-10-4-8/h3-4,6-7,11H,1-2,5H2/t7-/m0/s1.
What are the key properties of 5-[[(2S)-azetidin-2-yl]methoxy]pyrimidine?
5-[[(2S)-azetidin-2-yl]methoxy]pyrimidine has a molecular weight of 165.20 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-azetidin-2-yl]methoxy]pyrimidine is sourced from PubChem (CID 10464674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).