5-(azetidin-3-yl)-1H-pyrimidin-6-one

C7H9N3O — CID 168980549

IUPAC5-(azetidin-3-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1C1CNC1
InChIInChI=1S/C7H9N3O/c11-7-6(3-9-4-10-7)5-1-8-2-5/h3-5,8H,1-2H2,(H,9,10,11)
InChIKeyRZMOADFZDWTKRR-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.54
Rot. Bonds1

About 5-(azetidin-3-yl)-1H-pyrimidin-6-one

5-(azetidin-3-yl)-1H-pyrimidin-6-one (PubChem CID 168980549) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1H-pyrimidin-6-one
PubChem CID168980549
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name5-(azetidin-3-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1C1CNC1
InChIInChI=1S/C7H9N3O/c11-7-6(3-9-4-10-7)5-1-8-2-5/h3-5,8H,1-2H2,(H,9,10,11)
InChIKeyRZMOADFZDWTKRR-UHFFFAOYSA-N
XLogP-0.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(azetidin-3-yl)-1H-pyrimidin-6-one (CID 168980549) is 5-(azetidin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(azetidin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(azetidin-3-yl)-1H-pyrimidin-6-one is O=c1[nH]cncc1C1CNC1.
What is the InChIKey of 5-(azetidin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is RZMOADFZDWTKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-7-6(3-9-4-10-7)5-1-8-2-5/h3-5,8H,1-2H2,(H,9,10,11).
What are the key properties of 5-(azetidin-3-yl)-1H-pyrimidin-6-one?
5-(azetidin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 151.17 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 168980549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).