methyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenoxyacetate

C15H16N2O4 — CID 19745769

IUPACmethyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenoxyacetate
SMILESCOC(=O)C(Oc1ccccc1)Oc1nc(C)cc(C)n1
InChIInChI=1S/C15H16N2O4/c1-10-9-11(2)17-15(16-10)21-14(13(18)19-3)20-12-7-5-4-6-8-12/h4-9,14H,1-3H3
InChIKeyFEEVCVUCTURKSK-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.05
Rot. Bonds5

About methyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenoxyacetate

methyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenoxyacetate (PubChem CID 19745769) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenoxyacetate.

Molecular Properties

Compound Namemethyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenoxyacetate
PubChem CID19745769
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenoxyacetate
SMILESCOC(=O)C(Oc1ccccc1)Oc1nc(C)cc(C)n1
InChIInChI=1S/C15H16N2O4/c1-10-9-11(2)17-15(16-10)21-14(13(18)19-3)20-12-7-5-4-6-8-12/h4-9,14H,1-3H3
InChIKeyFEEVCVUCTURKSK-UHFFFAOYSA-N
XLogP2.05
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methylbutanoate
CID 139757361
(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-hydroxy-3,3-diphenylpropanoic acid
CID 25183811
(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid;(1S)-1-phenylethanamine
CID 53389537
3-benzyl-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-4-phenylbutanoic acid
CID 174746694
2-(4,6-dimethylpyrimidin-2-yl)oxy-3-[(4-methoxybenzoyl)amino]-3,3-diphenylpropanoic acid
CID 139928470
methyl 2-[(2-methylquinolin-4-yl)amino]propanoate
CID 43525443
2-methoxy-N-methyl-2-phenoxyacetamide
CID 69350030
(4,6-dimethylpyrimidin-2-yl) benzoate
CID 835169
2-(4-methylphenoxy)-2-phenoxyacetic acid
CID 151278222
methyl 3,3,3-trifluoro-2-phenoxypropanoate
CID 121000183
(2S)-3-methoxy-2-[4-methyl-6-(trideuteriomethyl)pyrimidin-2-yl]oxy-3,3-diphenylpropanoic acid
CID 25217500
3-amino-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid
CID 15860373

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenoxyacetate?
The IUPAC name of methyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenoxyacetate (CID 19745769) is methyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenoxyacetate.
What is the SMILES notation for methyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenoxyacetate?
The canonical SMILES for methyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenoxyacetate is COC(=O)C(Oc1ccccc1)Oc1nc(C)cc(C)n1.
What is the InChIKey of methyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenoxyacetate?
The InChIKey is FEEVCVUCTURKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10-9-11(2)17-15(16-10)21-14(13(18)19-3)20-12-7-5-4-6-8-12/h4-9,14H,1-3H3.
What are the key properties of methyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenoxyacetate?
methyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenoxyacetate has a molecular weight of 288.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-phenoxyacetate is sourced from PubChem (CID 19745769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).