1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol

C11H15ClN4O2 — CID 90456839

IUPAC1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol
SMILESOC1CN(c2nc(Cl)cc(N3CCOCC3)n2)C1
InChIInChI=1S/C11H15ClN4O2/c12-9-5-10(15-1-3-18-4-2-15)14-11(13-9)16-6-8(17)7-16/h5,8,17H,1-4,6-7H2
InChIKeyLXCWBAOCKRSZCJ-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.15
Rot. Bonds2

About 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol

1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol (PubChem CID 90456839) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol
PubChem CID90456839
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol
SMILESOC1CN(c2nc(Cl)cc(N3CCOCC3)n2)C1
InChIInChI=1S/C11H15ClN4O2/c12-9-5-10(15-1-3-18-4-2-15)14-11(13-9)16-6-8(17)7-16/h5,8,17H,1-4,6-7H2
InChIKeyLXCWBAOCKRSZCJ-UHFFFAOYSA-N
XLogP0.15
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol?
The IUPAC name of 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol (CID 90456839) is 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol.
What is the SMILES notation for 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol?
The canonical SMILES for 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol is OC1CN(c2nc(Cl)cc(N3CCOCC3)n2)C1.
What is the InChIKey of 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol?
The InChIKey is LXCWBAOCKRSZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c12-9-5-10(15-1-3-18-4-2-15)14-11(13-9)16-6-8(17)7-16/h5,8,17H,1-4,6-7H2.
What are the key properties of 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol?
1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol has a molecular weight of 270.72 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol is sourced from PubChem (CID 90456839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).