5-(3-ethylphenoxy)-1H-pyrimidin-2-one

C12H12N2O2 — CID 12661826

IUPAC5-(3-ethylphenoxy)-1H-pyrimidin-2-one
SMILESCCc1cccc(Oc2cnc(=O)[nH]c2)c1
InChIInChI=1S/C12H12N2O2/c1-2-9-4-3-5-10(6-9)16-11-7-13-12(15)14-8-11/h3-8H,2H2,1H3,(H,13,14,15)
InChIKeyXFORPDNDLRAYSA-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.12
Rot. Bonds3

About 5-(3-ethylphenoxy)-1H-pyrimidin-2-one

5-(3-ethylphenoxy)-1H-pyrimidin-2-one (PubChem CID 12661826) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(3-ethylphenoxy)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(3-ethylphenoxy)-1H-pyrimidin-2-one
PubChem CID12661826
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-(3-ethylphenoxy)-1H-pyrimidin-2-one
SMILESCCc1cccc(Oc2cnc(=O)[nH]c2)c1
InChIInChI=1S/C12H12N2O2/c1-2-9-4-3-5-10(6-9)16-11-7-13-12(15)14-8-11/h3-8H,2H2,1H3,(H,13,14,15)
InChIKeyXFORPDNDLRAYSA-UHFFFAOYSA-N
XLogP2.12
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylphenoxy)-1H-pyrimidin-2-one?
The IUPAC name of 5-(3-ethylphenoxy)-1H-pyrimidin-2-one (CID 12661826) is 5-(3-ethylphenoxy)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(3-ethylphenoxy)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(3-ethylphenoxy)-1H-pyrimidin-2-one is CCc1cccc(Oc2cnc(=O)[nH]c2)c1.
What is the InChIKey of 5-(3-ethylphenoxy)-1H-pyrimidin-2-one?
The InChIKey is XFORPDNDLRAYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-9-4-3-5-10(6-9)16-11-7-13-12(15)14-8-11/h3-8H,2H2,1H3,(H,13,14,15).
What are the key properties of 5-(3-ethylphenoxy)-1H-pyrimidin-2-one?
5-(3-ethylphenoxy)-1H-pyrimidin-2-one has a molecular weight of 216.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylphenoxy)-1H-pyrimidin-2-one is sourced from PubChem (CID 12661826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).