4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylic acid

C13H11FN2O2 — CID 23049985

IUPAC4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H11FN2O2/c1-7-11(13(17)18)12(16-8(2)15-7)9-3-5-10(14)6-4-9/h3-6H,1-2H3,(H,17,18)
InChIKeyBNLVTFDYQKGPGU-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.60
Rot. Bonds2

About 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylic acid

4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylic acid (PubChem CID 23049985) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylic acid
PubChem CID23049985
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H11FN2O2/c1-7-11(13(17)18)12(16-8(2)15-7)9-3-5-10(14)6-4-9/h3-6H,1-2H3,(H,17,18)
InChIKeyBNLVTFDYQKGPGU-UHFFFAOYSA-N
XLogP2.60
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylic acid (CID 23049985) is 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylic acid is Cc1nc(C)c(C(=O)O)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylic acid?
The InChIKey is BNLVTFDYQKGPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-7-11(13(17)18)12(16-8(2)15-7)9-3-5-10(14)6-4-9/h3-6H,1-2H3,(H,17,18).
What are the key properties of 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylic acid?
4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylic acid has a molecular weight of 246.24 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2,6-dimethylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 23049985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).