4-(azetidin-3-yloxy)-1H-pyrimidin-6-one

C7H9N3O2 — CID 114586442

IUPAC4-(azetidin-3-yloxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CNC2)nc[nH]1
InChIInChI=1S/C7H9N3O2/c11-6-1-7(10-4-9-6)12-5-2-8-3-5/h1,4-5,8H,2-3H2,(H,9,10,11)
InChIKeyIGTSHAWEMWRGOX-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.88
Rot. Bonds2

About 4-(azetidin-3-yloxy)-1H-pyrimidin-6-one

4-(azetidin-3-yloxy)-1H-pyrimidin-6-one (PubChem CID 114586442) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(azetidin-3-yloxy)-1H-pyrimidin-6-one
PubChem CID114586442
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name4-(azetidin-3-yloxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CNC2)nc[nH]1
InChIInChI=1S/C7H9N3O2/c11-6-1-7(10-4-9-6)12-5-2-8-3-5/h1,4-5,8H,2-3H2,(H,9,10,11)
InChIKeyIGTSHAWEMWRGOX-UHFFFAOYSA-N
XLogP-0.88
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(azetidin-3-yloxy)-1H-pyrimidin-6-one (CID 114586442) is 4-(azetidin-3-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(azetidin-3-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(azetidin-3-yloxy)-1H-pyrimidin-6-one is O=c1cc(OC2CNC2)nc[nH]1.
What is the InChIKey of 4-(azetidin-3-yloxy)-1H-pyrimidin-6-one?
The InChIKey is IGTSHAWEMWRGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c11-6-1-7(10-4-9-6)12-5-2-8-3-5/h1,4-5,8H,2-3H2,(H,9,10,11).
What are the key properties of 4-(azetidin-3-yloxy)-1H-pyrimidin-6-one?
4-(azetidin-3-yloxy)-1H-pyrimidin-6-one has a molecular weight of 167.17 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).