2-[2-[(6-methoxy-2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoic acid

C21H20N2O4 — CID 142793840

IUPAC2-[2-[(6-methoxy-2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoic acid
SMILESCOc1cc(COc2ccccc2C(C)C(=O)O)nc(-c2ccccc2)n1
InChIInChI=1S/C21H20N2O4/c1-14(21(24)25)17-10-6-7-11-18(17)27-13-16-12-19(26-2)23-20(22-16)15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3,(H,24,25)
InChIKeyGNPGXBQJZGYHTM-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.92
Rot. Bonds7

About 2-[2-[(6-methoxy-2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoic acid

2-[2-[(6-methoxy-2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoic acid (PubChem CID 142793840) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[2-[(6-methoxy-2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-[(6-methoxy-2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoic acid
PubChem CID142793840
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name2-[2-[(6-methoxy-2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoic acid
SMILESCOc1cc(COc2ccccc2C(C)C(=O)O)nc(-c2ccccc2)n1
InChIInChI=1S/C21H20N2O4/c1-14(21(24)25)17-10-6-7-11-18(17)27-13-16-12-19(26-2)23-20(22-16)15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3,(H,24,25)
InChIKeyGNPGXBQJZGYHTM-UHFFFAOYSA-N
XLogP3.92
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(6-methoxy-2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
CID 154247950
2-[2-[[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid
CID 167428797
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
2-[2-[(5-fluoro-2-pyridinyl)methoxy]phenyl]propanoic acid
CID 142793839
methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103
2-(4,6-dimethoxy-3-pyridinyl)propanoic acid
CID 84781510
3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid
CID 105483713
2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 82168708
4-ethyl-6-[(4-methylphenyl)methoxy]-2-phenylpyrimidine
CID 95923003
3-(2-methoxyphenyl)-2-oxobutanoic acid
CID 70150557
4-methoxy-2-(4-methylphenyl)-6-phenylpyrimidine
CID 12703705
6-methoxy-4-phenylpyridine-2-carboxylic acid
CID 133096381

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methoxy-2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoic acid?
The IUPAC name of 2-[2-[(6-methoxy-2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoic acid (CID 142793840) is 2-[2-[(6-methoxy-2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-[2-[(6-methoxy-2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 2-[2-[(6-methoxy-2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoic acid is COc1cc(COc2ccccc2C(C)C(=O)O)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[2-[(6-methoxy-2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoic acid?
The InChIKey is GNPGXBQJZGYHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14(21(24)25)17-10-6-7-11-18(17)27-13-16-12-19(26-2)23-20(22-16)15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3,(H,24,25).
What are the key properties of 2-[2-[(6-methoxy-2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoic acid?
2-[2-[(6-methoxy-2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoic acid has a molecular weight of 364.40 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methoxy-2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 142793840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).