2-(3-methoxy-3-methylazetidin-1-yl)pyrimidine

C9H13N3O — CID 126988726

IUPAC2-(3-methoxy-3-methylazetidin-1-yl)pyrimidine
SMILESCOC1(C)CN(c2ncccn2)C1
InChIInChI=1S/C9H13N3O/c1-9(13-2)6-12(7-9)8-10-4-3-5-11-8/h3-5H,6-7H2,1-2H3
InChIKeyXVEBVDXYRVTBGM-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.70
Rot. Bonds2

About 2-(3-methoxy-3-methylazetidin-1-yl)pyrimidine

2-(3-methoxy-3-methylazetidin-1-yl)pyrimidine (PubChem CID 126988726) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylazetidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(3-methoxy-3-methylazetidin-1-yl)pyrimidine
PubChem CID126988726
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(3-methoxy-3-methylazetidin-1-yl)pyrimidine
SMILESCOC1(C)CN(c2ncccn2)C1
InChIInChI=1S/C9H13N3O/c1-9(13-2)6-12(7-9)8-10-4-3-5-11-8/h3-5H,6-7H2,1-2H3
InChIKeyXVEBVDXYRVTBGM-UHFFFAOYSA-N
XLogP0.70
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-methoxy-3-methylazetidin-1-yl)pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-3-(3-methoxy-3-methylazetidin-1-yl)pyrazine
CID 127006781
2-pyrimidin-2-yl-2-azaspiro[3.3]heptane
CID 118413240
methyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate
CID 133362806
6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane
CID 130685819
5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1H-imidazole
CID 131025859
3-(chloromethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine
CID 107394384
2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine
CID 130934211
2-methyl-7-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
CID 171070249
2,2,3,3,5,5,6,6-octadeuterio-1,4-di(pyrimidin-2-yl)piperazine
CID 162642408
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
2-(3,4-dimethylpyrrolidin-1-yl)pyrimidine
CID 130659210
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-methylazetidin-1-yl)pyrimidine?
The IUPAC name of 2-(3-methoxy-3-methylazetidin-1-yl)pyrimidine (CID 126988726) is 2-(3-methoxy-3-methylazetidin-1-yl)pyrimidine.
What is the SMILES notation for 2-(3-methoxy-3-methylazetidin-1-yl)pyrimidine?
The canonical SMILES for 2-(3-methoxy-3-methylazetidin-1-yl)pyrimidine is COC1(C)CN(c2ncccn2)C1.
What is the InChIKey of 2-(3-methoxy-3-methylazetidin-1-yl)pyrimidine?
The InChIKey is XVEBVDXYRVTBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-9(13-2)6-12(7-9)8-10-4-3-5-11-8/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-(3-methoxy-3-methylazetidin-1-yl)pyrimidine?
2-(3-methoxy-3-methylazetidin-1-yl)pyrimidine has a molecular weight of 179.22 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylazetidin-1-yl)pyrimidine is sourced from PubChem (CID 126988726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).