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

C7H8N2O3 — CID 119054241

IUPAC4-(oxetan-3-yloxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OC2COC2)nc[nH]1
InChIInChI=1S/C7H8N2O3/c10-6-1-7(9-4-8-6)12-5-2-11-3-5/h1,4-5H,2-3H2,(H,8,9,10)
InChIKeyAOKNRPQAOWKQNK-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.45
Rot. Bonds2

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

4-(oxetan-3-yloxy)-1H-pyrimidin-6-one (PubChem CID 119054241) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 4-(oxetan-3-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(oxetan-3-yloxy)-1H-pyrimidin-6-one
PubChem CID119054241
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name4-(oxetan-3-yloxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OC2COC2)nc[nH]1
InChIInChI=1S/C7H8N2O3/c10-6-1-7(9-4-8-6)12-5-2-11-3-5/h1,4-5H,2-3H2,(H,8,9,10)
InChIKeyAOKNRPQAOWKQNK-UHFFFAOYSA-N
XLogP-0.45
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(oxetan-3-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(oxetan-3-yloxy)-1H-pyrimidin-6-one (CID 119054241) is 4-(oxetan-3-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(oxetan-3-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(oxetan-3-yloxy)-1H-pyrimidin-6-one is O=c1cc(OC2COC2)nc[nH]1.
What is the InChIKey of 4-(oxetan-3-yloxy)-1H-pyrimidin-6-one?
The InChIKey is AOKNRPQAOWKQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-6-1-7(9-4-8-6)12-5-2-11-3-5/h1,4-5H,2-3H2,(H,8,9,10).
What are the key properties of 4-(oxetan-3-yloxy)-1H-pyrimidin-6-one?
4-(oxetan-3-yloxy)-1H-pyrimidin-6-one has a molecular weight of 168.15 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxetan-3-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 119054241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).