2-(oxetan-2-yl)-1H-pyrimidin-6-one

C7H8N2O2 — CID 141386268

IUPAC2-(oxetan-2-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCO2)[nH]1
InChIInChI=1S/C7H8N2O2/c10-6-1-3-8-7(9-6)5-2-4-11-5/h1,3,5H,2,4H2,(H,8,9,10)
InChIKeyJJRKYXDMJJHUPG-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.23
Rot. Bonds1

About 2-(oxetan-2-yl)-1H-pyrimidin-6-one

2-(oxetan-2-yl)-1H-pyrimidin-6-one (PubChem CID 141386268) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-(oxetan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(oxetan-2-yl)-1H-pyrimidin-6-one
PubChem CID141386268
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-(oxetan-2-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCO2)[nH]1
InChIInChI=1S/C7H8N2O2/c10-6-1-3-8-7(9-6)5-2-4-11-5/h1,3,5H,2,4H2,(H,8,9,10)
InChIKeyJJRKYXDMJJHUPG-UHFFFAOYSA-N
XLogP0.23
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(oxetan-2-yl)-1H-pyrimidin-6-one (CID 141386268) is 2-(oxetan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(oxetan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(oxetan-2-yl)-1H-pyrimidin-6-one is O=c1ccnc(C2CCO2)[nH]1.
What is the InChIKey of 2-(oxetan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is JJRKYXDMJJHUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-6-1-3-8-7(9-6)5-2-4-11-5/h1,3,5H,2,4H2,(H,8,9,10).
What are the key properties of 2-(oxetan-2-yl)-1H-pyrimidin-6-one?
2-(oxetan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 152.15 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 141386268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).