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

C15H15FN2O2 — CID 61269774

IUPAC3-[2-(4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
SMILESCc1nc(-c2ccc(F)cc2)nc(C)c1CCC(=O)O
InChIInChI=1S/C15H15FN2O2/c1-9-13(7-8-14(19)20)10(2)18-15(17-9)11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3,(H,19,20)
InChIKeyQVLGHYVUCXKDHM-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.92
Rot. Bonds4

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

3-[2-(4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid (PubChem CID 61269774) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
PubChem CID61269774
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name3-[2-(4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
SMILESCc1nc(-c2ccc(F)cc2)nc(C)c1CCC(=O)O
InChIInChI=1S/C15H15FN2O2/c1-9-13(7-8-14(19)20)10(2)18-15(17-9)11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3,(H,19,20)
InChIKeyQVLGHYVUCXKDHM-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 ≤ 500274.30
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-(4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
The IUPAC name of 3-[2-(4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid (CID 61269774) is 3-[2-(4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid is Cc1nc(-c2ccc(F)cc2)nc(C)c1CCC(=O)O.
What is the InChIKey of 3-[2-(4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
The InChIKey is QVLGHYVUCXKDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-13(7-8-14(19)20)10(2)18-15(17-9)11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 3-[2-(4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
3-[2-(4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid has a molecular weight of 274.30 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-(4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 61269774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).