3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol

C11H15N3O2 — CID 75511384

IUPAC3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol
SMILESCOc1ccnc(N2CC(O)(C3CC3)C2)n1
InChIInChI=1S/C11H15N3O2/c1-16-9-4-5-12-10(13-9)14-6-11(15,7-14)8-2-3-8/h4-5,8,15H,2-3,6-7H2,1H3
InChIKeyQVHWFESVVHWHEK-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.45
Rot. Bonds3

About 3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol

3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol (PubChem CID 75511384) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol
PubChem CID75511384
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol
SMILESCOc1ccnc(N2CC(O)(C3CC3)C2)n1
InChIInChI=1S/C11H15N3O2/c1-16-9-4-5-12-10(13-9)14-6-11(15,7-14)8-2-3-8/h4-5,8,15H,2-3,6-7H2,1H3
InChIKeyQVHWFESVVHWHEK-UHFFFAOYSA-N
XLogP0.45
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol?
The IUPAC name of 3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol (CID 75511384) is 3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol.
What is the SMILES notation for 3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol?
The canonical SMILES for 3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol is COc1ccnc(N2CC(O)(C3CC3)C2)n1.
What is the InChIKey of 3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol?
The InChIKey is QVHWFESVVHWHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-9-4-5-12-10(13-9)14-6-11(15,7-14)8-2-3-8/h4-5,8,15H,2-3,6-7H2,1H3.
What are the key properties of 3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol?
3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol has a molecular weight of 221.26 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol is sourced from PubChem (CID 75511384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).