1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-3-methylazetidin-3-ol

C11H17N3O2 — CID 136534887

IUPAC1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-3-methylazetidin-3-ol
SMILESCOCc1nc(C)cc(N2CC(C)(O)C2)n1
InChIInChI=1S/C11H17N3O2/c1-8-4-10(13-9(12-8)5-16-3)14-6-11(2,15)7-14/h4,15H,5-7H2,1-3H3
InChIKeyQEXBQIKDGABAOK-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.50
Rot. Bonds3

About 1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-3-methylazetidin-3-ol

1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-3-methylazetidin-3-ol (PubChem CID 136534887) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-3-methylazetidin-3-ol
PubChem CID136534887
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-3-methylazetidin-3-ol
SMILESCOCc1nc(C)cc(N2CC(C)(O)C2)n1
InChIInChI=1S/C11H17N3O2/c1-8-4-10(13-9(12-8)5-16-3)14-6-11(2,15)7-14/h4,15H,5-7H2,1-3H3
InChIKeyQEXBQIKDGABAOK-UHFFFAOYSA-N
XLogP0.50
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-3-methylazetidin-3-ol?
The IUPAC name of 1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-3-methylazetidin-3-ol (CID 136534887) is 1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-3-methylazetidin-3-ol.
What is the SMILES notation for 1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-3-methylazetidin-3-ol?
The canonical SMILES for 1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-3-methylazetidin-3-ol is COCc1nc(C)cc(N2CC(C)(O)C2)n1.
What is the InChIKey of 1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-3-methylazetidin-3-ol?
The InChIKey is QEXBQIKDGABAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-4-10(13-9(12-8)5-16-3)14-6-11(2,15)7-14/h4,15H,5-7H2,1-3H3.
What are the key properties of 1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-3-methylazetidin-3-ol?
1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-3-methylazetidin-3-ol has a molecular weight of 223.28 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]-3-methylazetidin-3-ol is sourced from PubChem (CID 136534887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).