2-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxyethanol

C11H17N3O2 — CID 145234391

IUPAC2-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxyethanol
SMILESCc1cc(N2CC(OCCO)C2)nc(C)n1
InChIInChI=1S/C11H17N3O2/c1-8-5-11(13-9(2)12-8)14-6-10(7-14)16-4-3-15/h5,10,15H,3-4,6-7H2,1-2H3
InChIKeyIOXKJMBVDROXPX-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.29
Rot. Bonds4

About 2-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxyethanol

2-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxyethanol (PubChem CID 145234391) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxyethanol
PubChem CID145234391
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxyethanol
SMILESCc1cc(N2CC(OCCO)C2)nc(C)n1
InChIInChI=1S/C11H17N3O2/c1-8-5-11(13-9(2)12-8)14-6-10(7-14)16-4-3-15/h5,10,15H,3-4,6-7H2,1-2H3
InChIKeyIOXKJMBVDROXPX-UHFFFAOYSA-N
XLogP0.29
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxyethanol?
The IUPAC name of 2-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxyethanol (CID 145234391) is 2-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxyethanol.
What is the SMILES notation for 2-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxyethanol?
The canonical SMILES for 2-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxyethanol is Cc1cc(N2CC(OCCO)C2)nc(C)n1.
What is the InChIKey of 2-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxyethanol?
The InChIKey is IOXKJMBVDROXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-5-11(13-9(2)12-8)14-6-10(7-14)16-4-3-15/h5,10,15H,3-4,6-7H2,1-2H3.
What are the key properties of 2-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxyethanol?
2-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxyethanol has a molecular weight of 223.28 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxyethanol is sourced from PubChem (CID 145234391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).