2-fluoro-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid

C15H15FN2O3 — CID 107677350

IUPAC2-fluoro-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid
SMILESCc1cc(C(C)C)nc(Oc2ccc(C(=O)O)c(F)c2)n1
InChIInChI=1S/C15H15FN2O3/c1-8(2)13-6-9(3)17-15(18-13)21-10-4-5-11(14(19)20)12(16)7-10/h4-8H,1-3H3,(H,19,20)
InChIKeyAVQMNUSCPKPDMX-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.54
Rot. Bonds4

About 2-fluoro-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid

2-fluoro-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid (PubChem CID 107677350) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-fluoro-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid
PubChem CID107677350
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name2-fluoro-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid
SMILESCc1cc(C(C)C)nc(Oc2ccc(C(=O)O)c(F)c2)n1
InChIInChI=1S/C15H15FN2O3/c1-8(2)13-6-9(3)17-15(18-13)21-10-4-5-11(14(19)20)12(16)7-10/h4-8H,1-3H3,(H,19,20)
InChIKeyAVQMNUSCPKPDMX-UHFFFAOYSA-N
XLogP3.54
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic 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-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid
CID 107672524
2-fluoro-4-(5-methylpyrimidin-2-yl)oxybenzoic acid
CID 107677373
6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid
CID 107554670
2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid
CID 114335295
2-fluoro-4-quinoxalin-2-yloxybenzoic acid
CID 107677384
2-fluoro-4-(3-fluorophenoxy)benzoic acid
CID 177076537
2-(2-bromo-4-fluorophenoxy)-4-methyl-6-propan-2-ylpyrimidine
CID 113491450
2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid
CID 107677466
2-fluoro-4-(3-hydroxy-2-methylpropoxy)benzoic acid
CID 107675405
2-fluoro-4-(1-methyltetrazol-5-yl)oxybenzoic acid
CID 107677422
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
2-fluoro-4-pyrimidin-2-yloxybenzoyl chloride
CID 172533586

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid?
The IUPAC name of 2-fluoro-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid (CID 107677350) is 2-fluoro-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid.
What is the SMILES notation for 2-fluoro-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid?
The canonical SMILES for 2-fluoro-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid is Cc1cc(C(C)C)nc(Oc2ccc(C(=O)O)c(F)c2)n1.
What is the InChIKey of 2-fluoro-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid?
The InChIKey is AVQMNUSCPKPDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-8(2)13-6-9(3)17-15(18-13)21-10-4-5-11(14(19)20)12(16)7-10/h4-8H,1-3H3,(H,19,20).
What are the key properties of 2-fluoro-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid?
2-fluoro-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid has a molecular weight of 290.29 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid is sourced from PubChem (CID 107677350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).