1-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-one

C13H14N2O3 — CID 113226507

IUPAC1-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-one
SMILESCOc1ccc(OCCn2cccnc2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-17-11-3-5-12(6-4-11)18-10-9-15-8-2-7-14-13(15)16/h2-8H,9-10H2,1H3
InChIKeyHRQHPDSXGYZVIY-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.33
Rot. Bonds5

About 1-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-one

1-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-one (PubChem CID 113226507) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-one
PubChem CID113226507
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-one
SMILESCOc1ccc(OCCn2cccnc2=O)cc1
InChIInChI=1S/C13H14N2O3/c1-17-11-3-5-12(6-4-11)18-10-9-15-8-2-7-14-13(15)16/h2-8H,9-10H2,1H3
InChIKeyHRQHPDSXGYZVIY-UHFFFAOYSA-N
XLogP1.33
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-one (CID 113226507) is 1-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-one is COc1ccc(OCCn2cccnc2=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-one?
The InChIKey is HRQHPDSXGYZVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-17-11-3-5-12(6-4-11)18-10-9-15-8-2-7-14-13(15)16/h2-8H,9-10H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-one?
1-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-one has a molecular weight of 246.27 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-one is sourced from PubChem (CID 113226507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).