3-[4-[2-(1-ethyl-6-oxo-4-phenylpyrimidin-2-yl)ethoxy]phenyl]propanoic acid

C23H24N2O4 — CID 91417154

IUPAC3-[4-[2-(1-ethyl-6-oxo-4-phenylpyrimidin-2-yl)ethoxy]phenyl]propanoic acid
SMILESCCn1c(CCOc2ccc(CCC(=O)O)cc2)nc(-c2ccccc2)cc1=O
InChIInChI=1S/C23H24N2O4/c1-2-25-21(24-20(16-22(25)26)18-6-4-3-5-7-18)14-15-29-19-11-8-17(9-12-19)10-13-23(27)28/h3-9,11-12,16H,2,10,13-15H2,1H3,(H,27,28)
InChIKeyXUVIOQLXSCYBRW-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.57
Rot. Bonds9

About 3-[4-[2-(1-ethyl-6-oxo-4-phenylpyrimidin-2-yl)ethoxy]phenyl]propanoic acid

3-[4-[2-(1-ethyl-6-oxo-4-phenylpyrimidin-2-yl)ethoxy]phenyl]propanoic acid (PubChem CID 91417154) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[4-[2-(1-ethyl-6-oxo-4-phenylpyrimidin-2-yl)ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(1-ethyl-6-oxo-4-phenylpyrimidin-2-yl)ethoxy]phenyl]propanoic acid
PubChem CID91417154
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name3-[4-[2-(1-ethyl-6-oxo-4-phenylpyrimidin-2-yl)ethoxy]phenyl]propanoic acid
SMILESCCn1c(CCOc2ccc(CCC(=O)O)cc2)nc(-c2ccccc2)cc1=O
InChIInChI=1S/C23H24N2O4/c1-2-25-21(24-20(16-22(25)26)18-6-4-3-5-7-18)14-15-29-19-11-8-17(9-12-19)10-13-23(27)28/h3-9,11-12,16H,2,10,13-15H2,1H3,(H,27,28)
InChIKeyXUVIOQLXSCYBRW-UHFFFAOYSA-N
XLogP3.57
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]-6-phenylpyrimidin-4-one
CID 18717793
ethyl 2-ethoxy-3-[4-[2-(6-oxo-4-phenyl-2-propylpyrimidin-1-yl)ethoxy]phenyl]propanoate
CID 22137694
3-[4-[2-[2-ethyl-4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethoxy]phenyl]-2-methylpropanoic acid
CID 18717810
3-[4-[2-[4-(4-chlorophenyl)-2-ethyl-6-oxopyrimidin-1-yl]ethoxy]phenyl]-2-methylpropanoic acid
CID 18717814
ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]propanoate
CID 142176089
ethyl 2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]phenoxy]-2-methylpropanoate
CID 10114840
3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
CID 51349860
ethyl (2R)-2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]anilino]pentanoate
CID 10139661
ethyl (2S)-2-[4-[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)ethoxy]anilino]pentanoate
CID 10161873
3-[4-[2-(methylamino)ethoxy]phenyl]propanoic acid
CID 117095187
3-[3-[2-(4-ethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20987714
methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate
CID 58944756

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(1-ethyl-6-oxo-4-phenylpyrimidin-2-yl)ethoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[2-(1-ethyl-6-oxo-4-phenylpyrimidin-2-yl)ethoxy]phenyl]propanoic acid (CID 91417154) is 3-[4-[2-(1-ethyl-6-oxo-4-phenylpyrimidin-2-yl)ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[2-(1-ethyl-6-oxo-4-phenylpyrimidin-2-yl)ethoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[2-(1-ethyl-6-oxo-4-phenylpyrimidin-2-yl)ethoxy]phenyl]propanoic acid is CCn1c(CCOc2ccc(CCC(=O)O)cc2)nc(-c2ccccc2)cc1=O.
What is the InChIKey of 3-[4-[2-(1-ethyl-6-oxo-4-phenylpyrimidin-2-yl)ethoxy]phenyl]propanoic acid?
The InChIKey is XUVIOQLXSCYBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-2-25-21(24-20(16-22(25)26)18-6-4-3-5-7-18)14-15-29-19-11-8-17(9-12-19)10-13-23(27)28/h3-9,11-12,16H,2,10,13-15H2,1H3,(H,27,28).
What are the key properties of 3-[4-[2-(1-ethyl-6-oxo-4-phenylpyrimidin-2-yl)ethoxy]phenyl]propanoic acid?
3-[4-[2-(1-ethyl-6-oxo-4-phenylpyrimidin-2-yl)ethoxy]phenyl]propanoic acid has a molecular weight of 392.46 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(1-ethyl-6-oxo-4-phenylpyrimidin-2-yl)ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 91417154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).