2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic acid

C13H12N2O4 — CID 135409286

IUPAC2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic acid
SMILESCc1cc(OCC(=O)O)nc(-c2ccc(O)cc2)n1
InChIInChI=1S/C13H12N2O4/c1-8-6-11(19-7-12(17)18)15-13(14-8)9-2-4-10(16)5-3-9/h2-6,16H,7H2,1H3,(H,17,18)
InChIKeyXPEDNXVSQNAQEP-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.62
Rot. Bonds4

About 2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic acid

2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic acid (PubChem CID 135409286) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic acid
PubChem CID135409286
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic acid
SMILESCc1cc(OCC(=O)O)nc(-c2ccc(O)cc2)n1
InChIInChI=1S/C13H12N2O4/c1-8-6-11(19-7-12(17)18)15-13(14-8)9-2-4-10(16)5-3-9/h2-6,16H,7H2,1H3,(H,17,18)
InChIKeyXPEDNXVSQNAQEP-UHFFFAOYSA-N
XLogP1.62
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic 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-[6-[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid
CID 10177050
benzyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-methylpyrimidin-4-yl]oxyacetate
CID 135449938
3-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxypropanoic acid
CID 94075244
N,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
CID 53136931
4-methyl-2-(4-methylphenyl)-6-[(4-methylphenyl)methoxy]pyrimidine
CID 95923110
N-[(4-fluorophenyl)methyl]-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
CID 53136960
N-(2-bromophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136821
2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine
CID 95922321
N-(3-chlorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136820
2-[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(4-fluorophenyl)acetamide
CID 53136870
N-(4-acetylphenyl)-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
CID 53136848
2-(2-benzylsulfanyl-6-methylpyrimidin-4-yl)oxyacetic acid
CID 70198672

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic acid (CID 135409286) is 2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic acid is Cc1cc(OCC(=O)O)nc(-c2ccc(O)cc2)n1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic acid?
The InChIKey is XPEDNXVSQNAQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-8-6-11(19-7-12(17)18)15-13(14-8)9-2-4-10(16)5-3-9/h2-6,16H,7H2,1H3,(H,17,18).
What are the key properties of 2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic acid?
2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic acid has a molecular weight of 260.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic acid is sourced from PubChem (CID 135409286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).