2-(4,6-dimethylpyrimidin-2-yl)oxy-2-(3-fluorophenoxy)acetic acid

C14H13FN2O4 — CID 19745764

IUPAC2-(4,6-dimethylpyrimidin-2-yl)oxy-2-(3-fluorophenoxy)acetic acid
SMILESCc1cc(C)nc(OC(Oc2cccc(F)c2)C(=O)O)n1
InChIInChI=1S/C14H13FN2O4/c1-8-6-9(2)17-14(16-8)21-13(12(18)19)20-11-5-3-4-10(15)7-11/h3-7,13H,1-2H3,(H,18,19)
InChIKeyIHZYDWABTXRZIU-UHFFFAOYSA-N
MW292.27 g/mol
LogP2.10
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-(3-fluorophenoxy)acetic acid

2-(4,6-dimethylpyrimidin-2-yl)oxy-2-(3-fluorophenoxy)acetic acid (PubChem CID 19745764) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-(3-fluorophenoxy)acetic acid.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)oxy-2-(3-fluorophenoxy)acetic acid
PubChem CID19745764
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)oxy-2-(3-fluorophenoxy)acetic acid
SMILESCc1cc(C)nc(OC(Oc2cccc(F)c2)C(=O)O)n1
InChIInChI=1S/C14H13FN2O4/c1-8-6-9(2)17-14(16-8)21-13(12(18)19)20-11-5-3-4-10(15)7-11/h3-7,13H,1-2H3,(H,18,19)
InChIKeyIHZYDWABTXRZIU-UHFFFAOYSA-N
XLogP2.10
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-(3-fluorophenoxy)acetic acid?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-(3-fluorophenoxy)acetic acid (CID 19745764) is 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-(3-fluorophenoxy)acetic acid.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-(3-fluorophenoxy)acetic acid?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-(3-fluorophenoxy)acetic acid is Cc1cc(C)nc(OC(Oc2cccc(F)c2)C(=O)O)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-(3-fluorophenoxy)acetic acid?
The InChIKey is IHZYDWABTXRZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-8-6-9(2)17-14(16-8)21-13(12(18)19)20-11-5-3-4-10(15)7-11/h3-7,13H,1-2H3,(H,18,19).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-(3-fluorophenoxy)acetic acid?
2-(4,6-dimethylpyrimidin-2-yl)oxy-2-(3-fluorophenoxy)acetic acid has a molecular weight of 292.27 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)oxy-2-(3-fluorophenoxy)acetic acid is sourced from PubChem (CID 19745764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).