4-pyrimidin-2-yl-4H-oxazin-3-one

C8H7N3O2 — CID 67547168

IUPAC4-pyrimidin-2-yl-4H-oxazin-3-one
SMILESO=C1NOC=CC1c1ncccn1
InChIInChI=1S/C8H7N3O2/c12-8-6(2-5-13-11-8)7-9-3-1-4-10-7/h1-6H,(H,11,12)
InChIKeyWWELWICQPHQTML-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.14
Rot. Bonds1

About 4-pyrimidin-2-yl-4H-oxazin-3-one

4-pyrimidin-2-yl-4H-oxazin-3-one (PubChem CID 67547168) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-pyrimidin-2-yl-4H-oxazin-3-one.

Molecular Properties

Compound Name4-pyrimidin-2-yl-4H-oxazin-3-one
PubChem CID67547168
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name4-pyrimidin-2-yl-4H-oxazin-3-one
SMILESO=C1NOC=CC1c1ncccn1
InChIInChI=1S/C8H7N3O2/c12-8-6(2-5-13-11-8)7-9-3-1-4-10-7/h1-6H,(H,11,12)
InChIKeyWWELWICQPHQTML-UHFFFAOYSA-N
XLogP0.14
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-yl-4H-oxazin-3-one?
The IUPAC name of 4-pyrimidin-2-yl-4H-oxazin-3-one (CID 67547168) is 4-pyrimidin-2-yl-4H-oxazin-3-one.
What is the SMILES notation for 4-pyrimidin-2-yl-4H-oxazin-3-one?
The canonical SMILES for 4-pyrimidin-2-yl-4H-oxazin-3-one is O=C1NOC=CC1c1ncccn1.
What is the InChIKey of 4-pyrimidin-2-yl-4H-oxazin-3-one?
The InChIKey is WWELWICQPHQTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-8-6(2-5-13-11-8)7-9-3-1-4-10-7/h1-6H,(H,11,12).
What are the key properties of 4-pyrimidin-2-yl-4H-oxazin-3-one?
4-pyrimidin-2-yl-4H-oxazin-3-one has a molecular weight of 177.16 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-yl-4H-oxazin-3-one is sourced from PubChem (CID 67547168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).