[3-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl] acetate

C14H14N2O5 — CID 134120094

IUPAC[3-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl] acetate
SMILESCOc1cc(OC)nc(Oc2cccc(OC(C)=O)c2)n1
InChIInChI=1S/C14H14N2O5/c1-9(17)20-10-5-4-6-11(7-10)21-14-15-12(18-2)8-13(16-14)19-3/h4-8H,1-3H3
InChIKeyWPPQZEZUAFHXIU-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.21
Rot. Bonds5

About [3-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl] acetate

[3-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl] acetate (PubChem CID 134120094) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is [3-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl] acetate.

Molecular Properties

Compound Name[3-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl] acetate
PubChem CID134120094
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name[3-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl] acetate
SMILESCOc1cc(OC)nc(Oc2cccc(OC(C)=O)c2)n1
InChIInChI=1S/C14H14N2O5/c1-9(17)20-10-5-4-6-11(7-10)21-14-15-12(18-2)8-13(16-14)19-3/h4-8H,1-3H3
InChIKeyWPPQZEZUAFHXIU-UHFFFAOYSA-N
XLogP2.21
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(3-acetyloxyphenoxy)phenyl] acetate
CID 23459901
2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine
CID 83140189
4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
CID 4615865
4,6-dimethoxy-2-[3-(6-methoxy-2-pyridinyl)phenoxy]pyrimidine
CID 67801933
(3-chlorophenyl) 2-(4,6-dimethoxypyrimidin-2-yl)acetate
CID 23169126
methyl 2-[7-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalen-1-yl]-2-oxoacetate
CID 54269329
disodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate;hydride
CID 173060137
[3-[2-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]oxyphenyl] acetate
CID 141300396
[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol
CID 54218781
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoic acid
CID 62861962
3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid
CID 142634334
2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline
CID 134106660

Frequently Asked Questions

What is the IUPAC name of [3-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl] acetate?
The IUPAC name of [3-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl] acetate (CID 134120094) is [3-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl] acetate.
What is the SMILES notation for [3-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl] acetate?
The canonical SMILES for [3-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl] acetate is COc1cc(OC)nc(Oc2cccc(OC(C)=O)c2)n1.
What is the InChIKey of [3-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl] acetate?
The InChIKey is WPPQZEZUAFHXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-9(17)20-10-5-4-6-11(7-10)21-14-15-12(18-2)8-13(16-14)19-3/h4-8H,1-3H3.
What are the key properties of [3-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl] acetate?
[3-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl] acetate has a molecular weight of 290.28 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl] acetate is sourced from PubChem (CID 134120094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).