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

C9H13N3O — CID 84656987

IUPAC2-(azetidin-3-yl)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(C2CNC2)[nH]c1=O
InChIInChI=1S/C9H13N3O/c1-2-6-5-11-8(12-9(6)13)7-3-10-4-7/h5,7,10H,2-4H2,1H3,(H,11,12,13)
InChIKeyBKIOZGAJGSBGMT-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.02
Rot. Bonds2

About 2-(azetidin-3-yl)-5-ethyl-1H-pyrimidin-6-one

2-(azetidin-3-yl)-5-ethyl-1H-pyrimidin-6-one (PubChem CID 84656987) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-ethyl-1H-pyrimidin-6-one
PubChem CID84656987
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(azetidin-3-yl)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(C2CNC2)[nH]c1=O
InChIInChI=1S/C9H13N3O/c1-2-6-5-11-8(12-9(6)13)7-3-10-4-7/h5,7,10H,2-4H2,1H3,(H,11,12,13)
InChIKeyBKIOZGAJGSBGMT-UHFFFAOYSA-N
XLogP0.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.02
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)-5-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(azetidin-3-yl)-5-ethyl-1H-pyrimidin-6-one (CID 84656987) is 2-(azetidin-3-yl)-5-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(azetidin-3-yl)-5-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(azetidin-3-yl)-5-ethyl-1H-pyrimidin-6-one is CCc1cnc(C2CNC2)[nH]c1=O.
What is the InChIKey of 2-(azetidin-3-yl)-5-ethyl-1H-pyrimidin-6-one?
The InChIKey is BKIOZGAJGSBGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-6-5-11-8(12-9(6)13)7-3-10-4-7/h5,7,10H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 2-(azetidin-3-yl)-5-ethyl-1H-pyrimidin-6-one?
2-(azetidin-3-yl)-5-ethyl-1H-pyrimidin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 84656987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).