2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid

C15H15FN2O2 — CID 62388782

IUPAC2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCc1ccc(F)cc1-c1ncc(C(=O)O)c(C(C)C)n1
InChIInChI=1S/C15H15FN2O2/c1-8(2)13-12(15(19)20)7-17-14(18-13)11-6-10(16)5-4-9(11)3/h4-8H,1-3H3,(H,19,20)
InChIKeyPPUUSCPTQJTMLC-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.41
Rot. Bonds3

About 2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid

2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid (PubChem CID 62388782) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
PubChem CID62388782
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCc1ccc(F)cc1-c1ncc(C(=O)O)c(C(C)C)n1
InChIInChI=1S/C15H15FN2O2/c1-8(2)13-12(15(19)20)7-17-14(18-13)11-6-10(16)5-4-9(11)3/h4-8H,1-3H3,(H,19,20)
InChIKeyPPUUSCPTQJTMLC-UHFFFAOYSA-N
XLogP3.41
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine-5-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-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 62388937
2-(4-methyl-3-pyridinyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 114878680
5-(chloromethyl)-2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine
CID 114205415
2-(2-methylfuran-3-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 104790568
2-(2-bromo-5-fluorophenyl)-4-methylpyrimidine-5-carboxylic acid
CID 107923912
2-(3-bromo-4-fluorophenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 82801577
1-[2-(5-fluoro-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
CID 55112626
6-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid
CID 53222880
2-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62388939
2-[(2-chloro-4-fluorophenyl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 63038444
2-(2,5-difluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 116864976
4-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid
CID 53229231

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid (CID 62388782) is 2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid is Cc1ccc(F)cc1-c1ncc(C(=O)O)c(C(C)C)n1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid?
The InChIKey is PPUUSCPTQJTMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-8(2)13-12(15(19)20)7-17-14(18-13)11-6-10(16)5-4-9(11)3/h4-8H,1-3H3,(H,19,20).
What are the key properties of 2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid?
2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-4-propan-2-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 62388782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).