2-(oxolan-3-yl)-1H-pyrimidin-6-one

C8H10N2O2 — CID 62313451

IUPAC2-(oxolan-3-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCOC2)[nH]1
InChIInChI=1S/C8H10N2O2/c11-7-1-3-9-8(10-7)6-2-4-12-5-6/h1,3,6H,2,4-5H2,(H,9,10,11)
InChIKeyZRAKGEZKCSUYIJ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.27
Rot. Bonds1

About 2-(oxolan-3-yl)-1H-pyrimidin-6-one

2-(oxolan-3-yl)-1H-pyrimidin-6-one (PubChem CID 62313451) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(oxolan-3-yl)-1H-pyrimidin-6-one
PubChem CID62313451
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(oxolan-3-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCOC2)[nH]1
InChIInChI=1S/C8H10N2O2/c11-7-1-3-9-8(10-7)6-2-4-12-5-6/h1,3,6H,2,4-5H2,(H,9,10,11)
InChIKeyZRAKGEZKCSUYIJ-UHFFFAOYSA-N
XLogP0.27
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(oxolan-3-yl)-1H-pyrimidin-6-one (CID 62313451) is 2-(oxolan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(oxolan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(oxolan-3-yl)-1H-pyrimidin-6-one is O=c1ccnc(C2CCOC2)[nH]1.
What is the InChIKey of 2-(oxolan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is ZRAKGEZKCSUYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-7-1-3-9-8(10-7)6-2-4-12-5-6/h1,3,6H,2,4-5H2,(H,9,10,11).
What are the key properties of 2-(oxolan-3-yl)-1H-pyrimidin-6-one?
2-(oxolan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 166.18 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 62313451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).