2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic acid

C14H14N2O4 — CID 107710034

IUPAC2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(Oc2ccc(CCO)cc2)n1
InChIInChI=1S/C14H14N2O4/c1-9-8-12(13(18)19)16-14(15-9)20-11-4-2-10(3-5-11)6-7-17/h2-5,8,17H,6-7H2,1H3,(H,18,19)
InChIKeyMGFLTHKQEMBQND-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.81
Rot. Bonds5

About 2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic acid

2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107710034) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic acid
PubChem CID107710034
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(Oc2ccc(CCO)cc2)n1
InChIInChI=1S/C14H14N2O4/c1-9-8-12(13(18)19)16-14(15-9)20-11-4-2-10(3-5-11)6-7-17/h2-5,8,17H,6-7H2,1H3,(H,18,19)
InChIKeyMGFLTHKQEMBQND-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

Analyze 2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic 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-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554676
2-(4-bromo-3-methylphenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107555013
2-[4-(2-hydroxyethyl)phenoxy]-4-methylpyrimidine-5-carboxylic acid
CID 107708674
6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid
CID 107554670
2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboxamide
CID 107709693
5-amino-6-[4-(2-hydroxyethyl)phenoxy]pyridine-2-carboxylic acid
CID 107709763
2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid
CID 107554945
2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553220
6-methyl-2-(2-phenylethyl)pyrimidine-4-carboxylic acid
CID 62744842
2-[4-(2-methylquinolin-4-yl)oxyphenyl]ethanol
CID 107709613
2-(3-bromo-5-fluorophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554983
6-methyl-2-(3-nitrophenoxy)pyrimidine-4-carboxylic acid
CID 107554866

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic acid (CID 107710034) is 2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(Oc2ccc(CCO)cc2)n1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is MGFLTHKQEMBQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-8-12(13(18)19)16-14(15-9)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]-6-methylpyrimidine-4-carboxylic acid?
2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-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]-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107710034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).