3-phenyl-2-pyrimidin-4-ylpropanoic acid

C13H12N2O2 — CID 104571562

IUPAC3-phenyl-2-pyrimidin-4-ylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)c1ccncn1
InChIInChI=1S/C13H12N2O2/c16-13(17)11(12-6-7-14-9-15-12)8-10-4-2-1-3-5-10/h1-7,9,11H,8H2,(H,16,17)
InChIKeyANFQVZWJROGWRG-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.89
Rot. Bonds4

About 3-phenyl-2-pyrimidin-4-ylpropanoic acid

3-phenyl-2-pyrimidin-4-ylpropanoic acid (PubChem CID 104571562) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-phenyl-2-pyrimidin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-phenyl-2-pyrimidin-4-ylpropanoic acid
PubChem CID104571562
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-phenyl-2-pyrimidin-4-ylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)c1ccncn1
InChIInChI=1S/C13H12N2O2/c16-13(17)11(12-6-7-14-9-15-12)8-10-4-2-1-3-5-10/h1-7,9,11H,8H2,(H,16,17)
InChIKeyANFQVZWJROGWRG-UHFFFAOYSA-N
XLogP1.89
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-nitro-2-pyridinyl)-3-phenylpropanoic acid
CID 104571604
3-phenyl-2-pyrimidin-4-ylsulfanylpropanoic acid
CID 61252592
3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid
CID 104571555
(2S)-2,3-diphenylpropanoic acid
CID 737125
2-amino-2-pyrimidin-4-ylacetic acid
CID 23132468
2-(3-nitro-4-pyridinyl)-3-phenylpropanoic acid
CID 104571521
3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 175333059
4-phenyl-1-pyrimidin-4-ylbutan-1-ol
CID 63988109
2-(6-ethoxypyrazin-2-yl)-3-phenylpropanoic acid
CID 104571529
2-isoquinolin-1-yl-3-phenylpropanoic acid
CID 104571632
2-phenyl-2-pyrimidin-4-ylacetamide
CID 69091558
3-(3-methylphenyl)-2-(6-propan-2-ylpyrimidin-4-yl)propanoic acid
CID 104572647

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-pyrimidin-4-ylpropanoic acid?
The IUPAC name of 3-phenyl-2-pyrimidin-4-ylpropanoic acid (CID 104571562) is 3-phenyl-2-pyrimidin-4-ylpropanoic acid.
What is the SMILES notation for 3-phenyl-2-pyrimidin-4-ylpropanoic acid?
The canonical SMILES for 3-phenyl-2-pyrimidin-4-ylpropanoic acid is O=C(O)C(Cc1ccccc1)c1ccncn1.
What is the InChIKey of 3-phenyl-2-pyrimidin-4-ylpropanoic acid?
The InChIKey is ANFQVZWJROGWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13(17)11(12-6-7-14-9-15-12)8-10-4-2-1-3-5-10/h1-7,9,11H,8H2,(H,16,17).
What are the key properties of 3-phenyl-2-pyrimidin-4-ylpropanoic acid?
3-phenyl-2-pyrimidin-4-ylpropanoic acid has a molecular weight of 228.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-pyrimidin-4-ylpropanoic acid is sourced from PubChem (CID 104571562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).