Pyrimidine-4,6-dicarboxylic acid
TL;DR: Pyrimidine-4,6-dicarboxylic acid (CAS 16490-02-1) is a chemical compound with molecular formula C6H4N2O4 and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrimidine-4,6-dicarboxylic acid
Also Known As: pyrimidine-4,6-dicarboxylic acid, 4,6-Pyrimidinedicarboxylic acid, pyrimidine analogue, 8, 4,6-PYRIMIDINE DICARBOXYLIC ACID, pyrimidine-4,6-dicarboxylicacid
| Molecular Formula | C6H4N2O4 |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0171 |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 16490-02-1 |
|---|---|
| SMILES | C1=C(N=CN=C1C(=O)O)C(=O)O |
| InChIKey | XIEOKRXVAACBHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrimidine-4,6-dicarboxylic acid (CAS 16490-02-1), with molecular formula C6H4N2O4 and molecular weight 168.02 g/mol. IUPAC: pyrimidine-4,6-dicarboxylic acid.
Chemical Property Profile of Pyrimidine-4,6-dicarboxylic acid
Property Insights of Pyrimidine-4,6-dicarboxylic acid
The XLogP value of -0.1 indicates that Pyrimidine-4,6-dicarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine-4,6-dicarboxylic acid. Following Lipinski's Rule of Five, Pyrimidine-4,6-dicarboxylic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrimidine-4,6-dicarboxylic acid?
The CAS number of Pyrimidine-4,6-dicarboxylic acid is 16490-02-1.
What is the molecular formula of Pyrimidine-4,6-dicarboxylic acid?
The molecular formula of Pyrimidine-4,6-dicarboxylic acid is C6H4N2O4.
What is the molecular weight of Pyrimidine-4,6-dicarboxylic acid?
The molecular weight of Pyrimidine-4,6-dicarboxylic acid is 168.02 g/mol.
Where can I buy Pyrimidine-4,6-dicarboxylic acid?
You can request a quote for Pyrimidine-4,6-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine-4,6-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine-4,6-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.