3-(4-chlorophenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)propanoic acid

C15H15ClN2O3 — CID 104573417

IUPAC3-(4-chlorophenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)propanoic acid
SMILESCOc1cc(C)nc(C(Cc2ccc(Cl)cc2)C(=O)O)n1
InChIInChI=1S/C15H15ClN2O3/c1-9-7-13(21-2)18-14(17-9)12(15(19)20)8-10-3-5-11(16)6-4-10/h3-7,12H,8H2,1-2H3,(H,19,20)
InChIKeyWYGCAHWGOPDFEL-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.86
Rot. Bonds5

About 3-(4-chlorophenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)propanoic acid

3-(4-chlorophenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)propanoic acid (PubChem CID 104573417) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)propanoic acid
PubChem CID104573417
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name3-(4-chlorophenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)propanoic acid
SMILESCOc1cc(C)nc(C(Cc2ccc(Cl)cc2)C(=O)O)n1
InChIInChI=1S/C15H15ClN2O3/c1-9-7-13(21-2)18-14(17-9)12(15(19)20)8-10-3-5-11(16)6-4-10/h3-7,12H,8H2,1-2H3,(H,19,20)
InChIKeyWYGCAHWGOPDFEL-UHFFFAOYSA-N
XLogP2.86
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-6-methylpyrimidin-2-yl)pentanoic acid
CID 104571914
3-(4-chlorophenyl)-2-(5,6-dimethyl-1,2,4-triazin-3-yl)propanoic acid
CID 114788133
diethyl 2-(4-methoxy-6-methylpyrimidin-2-yl)propanedioate
CID 104573497
2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid
CID 82139353
3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104573413
2-(4,6-dimethoxypyrimidin-2-yl)-4-methylpentanoic acid
CID 113428058
3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid
CID 113428295
3-(4-chlorophenyl)-2-(2,5-dimethylphenyl)propanoic acid
CID 82139348
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 82160569
3-(4-methoxyphenyl)-2-(6-methylpyrimidin-4-yl)propanoic acid
CID 104573075
2-(5-fluoropyrimidin-2-yl)-3-(4-methoxyphenyl)propanoic acid
CID 104606826

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)propanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)propanoic acid (CID 104573417) is 3-(4-chlorophenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)propanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)propanoic acid is COc1cc(C)nc(C(Cc2ccc(Cl)cc2)C(=O)O)n1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)propanoic acid?
The InChIKey is WYGCAHWGOPDFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-9-7-13(21-2)18-14(17-9)12(15(19)20)8-10-3-5-11(16)6-4-10/h3-7,12H,8H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)propanoic acid?
3-(4-chlorophenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)propanoic acid has a molecular weight of 306.75 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 104573417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).