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

C8H11N3O — CID 84652111

IUPAC2-(azetidin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(CC2CNC2)[nH]1
InChIInChI=1S/C8H11N3O/c12-8-1-2-10-7(11-8)3-6-4-9-5-6/h1-2,6,9H,3-5H2,(H,10,11,12)
InChIKeyQDYSIMITGFDHJV-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.47
Rot. Bonds2

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

2-(azetidin-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 84652111) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID84652111
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-(azetidin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(CC2CNC2)[nH]1
InChIInChI=1S/C8H11N3O/c12-8-1-2-10-7(11-8)3-6-4-9-5-6/h1-2,6,9H,3-5H2,(H,10,11,12)
InChIKeyQDYSIMITGFDHJV-UHFFFAOYSA-N
XLogP-0.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(azetidin-3-ylmethyl)-1H-pyrimidin-6-one (CID 84652111) is 2-(azetidin-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-1H-pyrimidin-6-one is O=c1ccnc(CC2CNC2)[nH]1.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is QDYSIMITGFDHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c12-8-1-2-10-7(11-8)3-6-4-9-5-6/h1-2,6,9H,3-5H2,(H,10,11,12).
What are the key properties of 2-(azetidin-3-ylmethyl)-1H-pyrimidin-6-one?
2-(azetidin-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 165.20 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84652111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).