(5-chloropyrimidin-4-yl)-(3-hydroxyazetidin-1-yl)methanone

C8H8ClN3O2 — CID 136515626

IUPAC(5-chloropyrimidin-4-yl)-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1ncncc1Cl)N1CC(O)C1
InChIInChI=1S/C8H8ClN3O2/c9-6-1-10-4-11-7(6)8(14)12-2-5(13)3-12/h1,4-5,13H,2-3H2
InChIKeyGWJDGLJBIIMQBO-UHFFFAOYSA-N
MW213.62 g/mol
LogP-0.05
Rot. Bonds1

About (5-chloropyrimidin-4-yl)-(3-hydroxyazetidin-1-yl)methanone

(5-chloropyrimidin-4-yl)-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 136515626) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is (5-chloropyrimidin-4-yl)-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloropyrimidin-4-yl)-(3-hydroxyazetidin-1-yl)methanone
PubChem CID136515626
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name(5-chloropyrimidin-4-yl)-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1ncncc1Cl)N1CC(O)C1
InChIInChI=1S/C8H8ClN3O2/c9-6-1-10-4-11-7(6)8(14)12-2-5(13)3-12/h1,4-5,13H,2-3H2
InChIKeyGWJDGLJBIIMQBO-UHFFFAOYSA-N
XLogP-0.05
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloropyrimidin-4-yl)-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (5-chloropyrimidin-4-yl)-(3-hydroxyazetidin-1-yl)methanone (CID 136515626) is (5-chloropyrimidin-4-yl)-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (5-chloropyrimidin-4-yl)-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (5-chloropyrimidin-4-yl)-(3-hydroxyazetidin-1-yl)methanone is O=C(c1ncncc1Cl)N1CC(O)C1.
What is the InChIKey of (5-chloropyrimidin-4-yl)-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is GWJDGLJBIIMQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2/c9-6-1-10-4-11-7(6)8(14)12-2-5(13)3-12/h1,4-5,13H,2-3H2.
What are the key properties of (5-chloropyrimidin-4-yl)-(3-hydroxyazetidin-1-yl)methanone?
(5-chloropyrimidin-4-yl)-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 213.62 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrimidin-4-yl)-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 136515626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).