1-phenoxypyrimidin-2-one

C10H8N2O2 — CID 142732276

IUPAC1-phenoxypyrimidin-2-one
SMILESO=c1ncccn1Oc1ccccc1
InChIInChI=1S/C10H8N2O2/c13-10-11-7-4-8-12(10)14-9-5-2-1-3-6-9/h1-8H
InChIKeyDGLVHZNWVXUBFY-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.09
Rot. Bonds2

About 1-phenoxypyrimidin-2-one

1-phenoxypyrimidin-2-one (PubChem CID 142732276) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-phenoxypyrimidin-2-one.

Molecular Properties

Compound Name1-phenoxypyrimidin-2-one
PubChem CID142732276
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name1-phenoxypyrimidin-2-one
SMILESO=c1ncccn1Oc1ccccc1
InChIInChI=1S/C10H8N2O2/c13-10-11-7-4-8-12(10)14-9-5-2-1-3-6-9/h1-8H
InChIKeyDGLVHZNWVXUBFY-UHFFFAOYSA-N
XLogP1.09
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxypyrimidin-2-one?
The IUPAC name of 1-phenoxypyrimidin-2-one (CID 142732276) is 1-phenoxypyrimidin-2-one.
What is the SMILES notation for 1-phenoxypyrimidin-2-one?
The canonical SMILES for 1-phenoxypyrimidin-2-one is O=c1ncccn1Oc1ccccc1.
What is the InChIKey of 1-phenoxypyrimidin-2-one?
The InChIKey is DGLVHZNWVXUBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-10-11-7-4-8-12(10)14-9-5-2-1-3-6-9/h1-8H.
What are the key properties of 1-phenoxypyrimidin-2-one?
1-phenoxypyrimidin-2-one has a molecular weight of 188.19 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxypyrimidin-2-one is sourced from PubChem (CID 142732276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).