3-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid

C15H15FN2O2 — CID 61267744

IUPAC3-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
SMILESCc1nc(-c2cccc(F)c2)nc(C)c1CCC(=O)O
InChIInChI=1S/C15H15FN2O2/c1-9-13(6-7-14(19)20)10(2)18-15(17-9)11-4-3-5-12(16)8-11/h3-5,8H,6-7H2,1-2H3,(H,19,20)
InChIKeyYSEITUIFIFAYLW-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.92
Rot. Bonds4

About 3-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid

3-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid (PubChem CID 61267744) has the molecular formula C15H15FN2O2 and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
PubChem CID61267744
Molecular FormulaC15H15FN2O2
Molecular Weight274.29 g/mol
Exact Mass274.11
IUPAC Name3-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
SMILESCc1nc(-c2cccc(F)c2)nc(C)c1CCC(=O)O
InChIInChI=1S/C15H15FN2O2/c1-9-13(6-7-14(19)20)10(2)18-15(17-9)11-4-3-5-12(16)8-11/h3-5,8H,6-7H2,1-2H3,(H,19,20)
InChIKeyYSEITUIFIFAYLW-UHFFFAOYSA-N
XLogP2.92
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
The IUPAC name of 3-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid (CID 61267744) is 3-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid is Cc1nc(-c2cccc(F)c2)nc(C)c1CCC(=O)O.
What is the InChIKey of 3-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
The InChIKey is YSEITUIFIFAYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-13(6-7-14(19)20)10(2)18-15(17-9)11-4-3-5-12(16)8-11/h3-5,8H,6-7H2,1-2H3,(H,19,20).
What are the key properties of 3-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
3-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid has a molecular weight of 274.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 61267744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).