2-[2-[[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid

C21H20N2O4 — CID 167428797

IUPAC2-[2-[[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1OCc1ccnc(-c2ccc(CO)cc2)n1
InChIInChI=1S/C21H20N2O4/c1-14(21(25)26)18-4-2-3-5-19(18)27-13-17-10-11-22-20(23-17)16-8-6-15(12-24)7-9-16/h2-11,14,24H,12-13H2,1H3,(H,25,26)
InChIKeyCMNQTMZCRZXWSK-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.40
Rot. Bonds7

About 2-[2-[[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid

2-[2-[[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid (PubChem CID 167428797) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[2-[[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-[[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid
PubChem CID167428797
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name2-[2-[[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccccc1OCc1ccnc(-c2ccc(CO)cc2)n1
InChIInChI=1S/C21H20N2O4/c1-14(21(25)26)18-4-2-3-5-19(18)27-13-17-10-11-22-20(23-17)16-8-6-15(12-24)7-9-16/h2-11,14,24H,12-13H2,1H3,(H,25,26)
InChIKeyCMNQTMZCRZXWSK-UHFFFAOYSA-N
XLogP3.40
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
CID 154247950
2-[2-[(6-methoxy-2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoic acid
CID 142793840
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
3-[2-[[2-[4-(2-hydroxyethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid
CID 175864040
2-[2-[(5-fluoro-2-pyridinyl)methoxy]phenyl]propanoic acid
CID 142793839
ethane;methyl 3-[4-[(2-phenylpyrimidin-4-yl)methoxy]phenyl]propanoate
CID 123182715
methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103
2-amino-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
CID 135322262
methyl (2S)-2-[(2-phenylpyrimidin-4-yl)methylamino]propanoate
CID 167991231
2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol
CID 150670696
2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 82168708
[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]methanol
CID 152503696

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid?
The IUPAC name of 2-[2-[[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid (CID 167428797) is 2-[2-[[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-[2-[[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 2-[2-[[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid is CC(C(=O)O)c1ccccc1OCc1ccnc(-c2ccc(CO)cc2)n1.
What is the InChIKey of 2-[2-[[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid?
The InChIKey is CMNQTMZCRZXWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14(21(25)26)18-4-2-3-5-19(18)27-13-17-10-11-22-20(23-17)16-8-6-15(12-24)7-9-16/h2-11,14,24H,12-13H2,1H3,(H,25,26).
What are the key properties of 2-[2-[[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid?
2-[2-[[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid has a molecular weight of 364.40 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 167428797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).