ethyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenylacetate

C16H18N2O3 — CID 19881801

IUPACethyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenylacetate
SMILESCCOC(=O)C(Oc1nc(C)cc(C)n1)c1ccccc1
InChIInChI=1S/C16H18N2O3/c1-4-20-15(19)14(13-8-6-5-7-9-13)21-16-17-11(2)10-12(3)18-16/h5-10,14H,4H2,1-3H3
InChIKeyAAMZBXMROBLDHR-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.78
Rot. Bonds5

About ethyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenylacetate

ethyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenylacetate (PubChem CID 19881801) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is ethyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenylacetate
PubChem CID19881801
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameethyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenylacetate
SMILESCCOC(=O)C(Oc1nc(C)cc(C)n1)c1ccccc1
InChIInChI=1S/C16H18N2O3/c1-4-20-15(19)14(13-8-6-5-7-9-13)21-16-17-11(2)10-12(3)18-16/h5-10,14H,4H2,1-3H3
InChIKeyAAMZBXMROBLDHR-UHFFFAOYSA-N
XLogP2.78
TPSA61.31 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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenylacetate?
The IUPAC name of ethyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenylacetate (CID 19881801) is ethyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenylacetate.
What is the SMILES notation for ethyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenylacetate?
The canonical SMILES for ethyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenylacetate is CCOC(=O)C(Oc1nc(C)cc(C)n1)c1ccccc1.
What is the InChIKey of ethyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenylacetate?
The InChIKey is AAMZBXMROBLDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-20-15(19)14(13-8-6-5-7-9-13)21-16-17-11(2)10-12(3)18-16/h5-10,14H,4H2,1-3H3.
What are the key properties of ethyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenylacetate?
ethyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenylacetate has a molecular weight of 286.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenylacetate is sourced from PubChem (CID 19881801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).