4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one

C13H14N2O3 — CID 103240999

IUPAC4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCCOc1ccccc1Oc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C13H14N2O3/c1-3-17-10-6-4-5-7-11(10)18-13-8-12(16)14-9(2)15-13/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyKWEMZUVQZFJTCL-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.27
Rot. Bonds4

About 4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one

4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one (PubChem CID 103240999) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one
PubChem CID103240999
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCCOc1ccccc1Oc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C13H14N2O3/c1-3-17-10-6-4-5-7-11(10)18-13-8-12(16)14-9(2)15-13/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyKWEMZUVQZFJTCL-UHFFFAOYSA-N
XLogP2.27
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241191
4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one
CID 114585899
4-(3-hydroxynaphthalen-2-yl)oxy-2-methyl-1H-pyrimidin-6-one
CID 114580959
4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one
CID 114585940
2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine
CID 55080992
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carbonitrile
CID 114766792
2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one
CID 103241071
2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241192
4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one
CID 114673213
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carbothioamide
CID 114768094
2-methyl-4-(3-pyridin-4-ylpropoxy)-1H-pyrimidin-6-one
CID 103240796
4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one
CID 114578883

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one (CID 103240999) is 4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one is CCOc1ccccc1Oc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is KWEMZUVQZFJTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-17-10-6-4-5-7-11(10)18-13-8-12(16)14-9(2)15-13/h4-8H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one?
4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 246.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).