2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid

C14H14N2O4 — CID 107708674

IUPAC2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(Oc2ccc(CCO)cc2)ncc1C(=O)O
InChIInChI=1S/C14H14N2O4/c1-9-12(13(18)19)8-15-14(16-9)20-11-4-2-10(3-5-11)6-7-17/h2-5,8,17H,6-7H2,1H3,(H,18,19)
InChIKeyXRPLJZMTNQWIQH-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.81
Rot. Bonds5

About 2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid

2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 107708674) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid
PubChem CID107708674
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(Oc2ccc(CCO)cc2)ncc1C(=O)O
InChIInChI=1S/C14H14N2O4/c1-9-12(13(18)19)8-15-14(16-9)20-11-4-2-10(3-5-11)6-7-17/h2-5,8,17H,6-7H2,1H3,(H,18,19)
InChIKeyXRPLJZMTNQWIQH-UHFFFAOYSA-N
XLogP1.81
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol
CID 107709771
2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic acid
CID 107710034
2-(4-chloro-3,5-dimethylphenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83181128
4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid
CID 83181490
2-[4-(5-iodopyrimidin-2-yl)oxyphenyl]ethanol
CID 104844198
2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83181861
2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid
CID 107708690
2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid
CID 30031621
2-(5-chloro-2-methylphenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83181646
4-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-5-carboxylic acid
CID 83181940
2-[(E)-but-2-enoxy]-4-methylpyrimidine-5-carboxylic acid
CID 83181790
2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid
CID 23020305

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid (CID 107708674) is 2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid is Cc1nc(Oc2ccc(CCO)cc2)ncc1C(=O)O.
What is the InChIKey of 2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is XRPLJZMTNQWIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-12(13(18)19)8-15-14(16-9)20-11-4-2-10(3-5-11)6-7-17/h2-5,8,17H,6-7H2,1H3,(H,18,19).
What are the key properties of 2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid?
2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 107708674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).