2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid

C12H10FN3O2 — CID 82169063

IUPAC2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
SMILESCNc1nc(-c2ccccc2F)ncc1C(=O)O
InChIInChI=1S/C12H10FN3O2/c1-14-10-8(12(17)18)6-15-11(16-10)7-4-2-3-5-9(7)13/h2-6H,1H3,(H,17,18)(H,14,15,16)
InChIKeyVVFFLOHXEFVAMA-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.02
Rot. Bonds3

About 2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid

2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid (PubChem CID 82169063) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
PubChem CID82169063
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
SMILESCNc1nc(-c2ccccc2F)ncc1C(=O)O
InChIInChI=1S/C12H10FN3O2/c1-14-10-8(12(17)18)6-15-11(16-10)7-4-2-3-5-9(7)13/h2-6H,1H3,(H,17,18)(H,14,15,16)
InChIKeyVVFFLOHXEFVAMA-UHFFFAOYSA-N
XLogP2.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluorophenyl)-4-(methylamino)pyrimidine-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 2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid (CID 82169063) is 2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid is CNc1nc(-c2ccccc2F)ncc1C(=O)O.
What is the InChIKey of 2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid?
The InChIKey is VVFFLOHXEFVAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c1-14-10-8(12(17)18)6-15-11(16-10)7-4-2-3-5-9(7)13/h2-6H,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid?
2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid has a molecular weight of 247.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82169063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).