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

C7H9N3O — CID 84649498

IUPAC2-(azetidin-3-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CNC2)[nH]1
InChIInChI=1S/C7H9N3O/c11-6-1-2-9-7(10-6)5-3-8-4-5/h1-2,5,8H,3-4H2,(H,9,10,11)
InChIKeyBXAHLENADHQHHK-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.54
Rot. Bonds1

About 2-(azetidin-3-yl)-1H-pyrimidin-6-one

2-(azetidin-3-yl)-1H-pyrimidin-6-one (PubChem CID 84649498) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1H-pyrimidin-6-one
PubChem CID84649498
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2-(azetidin-3-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CNC2)[nH]1
InChIInChI=1S/C7H9N3O/c11-6-1-2-9-7(10-6)5-3-8-4-5/h1-2,5,8H,3-4H2,(H,9,10,11)
InChIKeyBXAHLENADHQHHK-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 2-(azetidin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(azetidin-3-yl)-1H-pyrimidin-6-one (CID 84649498) is 2-(azetidin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(azetidin-3-yl)-1H-pyrimidin-6-one is O=c1ccnc(C2CNC2)[nH]1.
What is the InChIKey of 2-(azetidin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is BXAHLENADHQHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-6-1-2-9-7(10-6)5-3-8-4-5/h1-2,5,8H,3-4H2,(H,9,10,11).
What are the key properties of 2-(azetidin-3-yl)-1H-pyrimidin-6-one?
2-(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 2-(azetidin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84649498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).