1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylazetidin-3-ol

C11H17N3O3 — CID 113293020

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylazetidin-3-ol
SMILESCCC1(O)CN(c2nc(OC)cc(OC)n2)C1
InChIInChI=1S/C11H17N3O3/c1-4-11(15)6-14(7-11)10-12-8(16-2)5-9(13-10)17-3/h5,15H,4,6-7H2,1-3H3
InChIKeyPQAUCZRSTHXNEO-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.45
Rot. Bonds4

About 1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylazetidin-3-ol

1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylazetidin-3-ol (PubChem CID 113293020) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylazetidin-3-ol.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylazetidin-3-ol
PubChem CID113293020
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylazetidin-3-ol
SMILESCCC1(O)CN(c2nc(OC)cc(OC)n2)C1
InChIInChI=1S/C11H17N3O3/c1-4-11(15)6-14(7-11)10-12-8(16-2)5-9(13-10)17-3/h5,15H,4,6-7H2,1-3H3
InChIKeyPQAUCZRSTHXNEO-UHFFFAOYSA-N
XLogP0.45
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylazetidin-3-ol?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylazetidin-3-ol (CID 113293020) is 1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylazetidin-3-ol.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylazetidin-3-ol?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylazetidin-3-ol is CCC1(O)CN(c2nc(OC)cc(OC)n2)C1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylazetidin-3-ol?
The InChIKey is PQAUCZRSTHXNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-11(15)6-14(7-11)10-12-8(16-2)5-9(13-10)17-3/h5,15H,4,6-7H2,1-3H3.
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylazetidin-3-ol?
1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylazetidin-3-ol has a molecular weight of 239.27 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylazetidin-3-ol is sourced from PubChem (CID 113293020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).