3-[2-(2-acetylphenoxy)ethyl]-2,6-dimethylpyrimidin-4-one

C16H18N2O3 — CID 63769372

IUPAC3-[2-(2-acetylphenoxy)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCC(=O)c1ccccc1OCCn1c(C)nc(C)cc1=O
InChIInChI=1S/C16H18N2O3/c1-11-10-16(20)18(13(3)17-11)8-9-21-15-7-5-4-6-14(15)12(2)19/h4-7,10H,8-9H2,1-3H3
InChIKeyBCRJBUFMGZZVEV-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.14
Rot. Bonds5

About 3-[2-(2-acetylphenoxy)ethyl]-2,6-dimethylpyrimidin-4-one

3-[2-(2-acetylphenoxy)ethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 63769372) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[2-(2-acetylphenoxy)ethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-acetylphenoxy)ethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID63769372
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-[2-(2-acetylphenoxy)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCC(=O)c1ccccc1OCCn1c(C)nc(C)cc1=O
InChIInChI=1S/C16H18N2O3/c1-11-10-16(20)18(13(3)17-11)8-9-21-15-7-5-4-6-14(15)12(2)19/h4-7,10H,8-9H2,1-3H3
InChIKeyBCRJBUFMGZZVEV-UHFFFAOYSA-N
XLogP2.14
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-acetylphenoxy)ethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-(2-acetylphenoxy)ethyl]-2,6-dimethylpyrimidin-4-one (CID 63769372) is 3-[2-(2-acetylphenoxy)ethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-acetylphenoxy)ethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-(2-acetylphenoxy)ethyl]-2,6-dimethylpyrimidin-4-one is CC(=O)c1ccccc1OCCn1c(C)nc(C)cc1=O.
What is the InChIKey of 3-[2-(2-acetylphenoxy)ethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is BCRJBUFMGZZVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-10-16(20)18(13(3)17-11)8-9-21-15-7-5-4-6-14(15)12(2)19/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 3-[2-(2-acetylphenoxy)ethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-(2-acetylphenoxy)ethyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 286.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-acetylphenoxy)ethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63769372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).