6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid

C11H8ClN3O2 — CID 46863985

IUPAC6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
SMILESNc1cc(C(=O)O)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H8ClN3O2/c12-7-3-1-6(2-4-7)10-14-8(11(16)17)5-9(13)15-10/h1-5H,(H,16,17)(H2,13,14,15)
InChIKeyDZRKJIOFNBYMMY-UHFFFAOYSA-N
MW249.66 g/mol
LogP2.08
Rot. Bonds2

About 6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid

6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid (PubChem CID 46863985) has the molecular formula C11H8ClN3O2 and a molecular weight of 249.66 g/mol. Its IUPAC name is 6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
PubChem CID46863985
Molecular FormulaC11H8ClN3O2
Molecular Weight249.66 g/mol
Exact Mass249.03
IUPAC Name6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
SMILESNc1cc(C(=O)O)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H8ClN3O2/c12-7-3-1-6(2-4-7)10-14-8(11(16)17)5-9(13)15-10/h1-5H,(H,16,17)(H2,13,14,15)
InChIKeyDZRKJIOFNBYMMY-UHFFFAOYSA-N
XLogP2.08
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-2-(4-chlorophenyl)pyrimidine-4-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 6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid (CID 46863985) is 6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid is Nc1cc(C(=O)O)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid?
The InChIKey is DZRKJIOFNBYMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2/c12-7-3-1-6(2-4-7)10-14-8(11(16)17)5-9(13)15-10/h1-5H,(H,16,17)(H2,13,14,15).
What are the key properties of 6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid?
6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid has a molecular weight of 249.66 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 46863985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).