3-[2-(2-ethoxyphenoxy)ethyl]pyrimidin-4-one

C14H16N2O3 — CID 115696902

IUPAC3-[2-(2-ethoxyphenoxy)ethyl]pyrimidin-4-one
SMILESCCOc1ccccc1OCCn1cnccc1=O
InChIInChI=1S/C14H16N2O3/c1-2-18-12-5-3-4-6-13(12)19-10-9-16-11-15-8-7-14(16)17/h3-8,11H,2,9-10H2,1H3
InChIKeyIPHDLRGQOLTQJT-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.72
Rot. Bonds6

About 3-[2-(2-ethoxyphenoxy)ethyl]pyrimidin-4-one

3-[2-(2-ethoxyphenoxy)ethyl]pyrimidin-4-one (PubChem CID 115696902) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[2-(2-ethoxyphenoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-ethoxyphenoxy)ethyl]pyrimidin-4-one
PubChem CID115696902
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[2-(2-ethoxyphenoxy)ethyl]pyrimidin-4-one
SMILESCCOc1ccccc1OCCn1cnccc1=O
InChIInChI=1S/C14H16N2O3/c1-2-18-12-5-3-4-6-13(12)19-10-9-16-11-15-8-7-14(16)17/h3-8,11H,2,9-10H2,1H3
InChIKeyIPHDLRGQOLTQJT-UHFFFAOYSA-N
XLogP1.72
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-bromophenoxy)ethyl]pyrimidin-4-one
CID 63769909
3-butylpyrimidin-4-one
CID 115679478
3-(2-phenylethyl)pyrimidin-4-one
CID 68623942
3-[2-(2-aminoethoxy)ethyl]pyrimidin-4-one
CID 103482356
3-[2-(3-methylbutoxy)ethyl]pyrimidin-4-one
CID 116622737
3-[2-(6-oxopyrimidin-1-yl)ethoxy]benzonitrile
CID 63768674
3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one
CID 55235489
1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione
CID 66061863
1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpyrrole-2-carboxylic acid
CID 102604533
3-[3-(ethylamino)propyl]pyrimidin-4-one
CID 63767956
3-[3-(4-aminophenoxy)propyl]pyrimidin-4-one
CID 63768989
5-bromo-3-[2-(2-ethoxyphenoxy)ethyl]-2-methylpyrimidin-4-one
CID 66310947

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethoxyphenoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(2-ethoxyphenoxy)ethyl]pyrimidin-4-one (CID 115696902) is 3-[2-(2-ethoxyphenoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-ethoxyphenoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2-ethoxyphenoxy)ethyl]pyrimidin-4-one is CCOc1ccccc1OCCn1cnccc1=O.
What is the InChIKey of 3-[2-(2-ethoxyphenoxy)ethyl]pyrimidin-4-one?
The InChIKey is IPHDLRGQOLTQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-18-12-5-3-4-6-13(12)19-10-9-16-11-15-8-7-14(16)17/h3-8,11H,2,9-10H2,1H3.
What are the key properties of 3-[2-(2-ethoxyphenoxy)ethyl]pyrimidin-4-one?
3-[2-(2-ethoxyphenoxy)ethyl]pyrimidin-4-one has a molecular weight of 260.29 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethoxyphenoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 115696902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).