Pyrimidine-2,5-diol
TL;DR: Pyrimidine-2,5-diol (CAS 512-07-2) is a chemical compound with molecular formula C1=C(C=NC(=O)N1)O and molecular weight 112.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-1H-pyrimidin-2-one
Also Known As: Pyrimidine-2,5-diol, Isouracil, 2,5-Pyrimidinediol, 2,5-dihydroxypyrimidine, 5-hydroxy-1H-pyrimidin-2-one
| Molecular Formula | C1=C(C=NC(=O)N1)O |
|---|---|
| Molecular Weight | 112.03 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.027275 |
| Heavy Atoms | 8 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 512-07-2 |
|---|---|
| SMILES | C1=C(C=NC(=O)N1)O |
| InChIKey | QIPKQEKUQASMNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrimidine-2,5-diol (CAS 512-07-2), with molecular formula C1=C(C=NC(=O)N1)O and molecular weight 112.03 g/mol. IUPAC: 5-hydroxy-1H-pyrimidin-2-one.
Chemical Property Profile of Pyrimidine-2,5-diol
Property Insights of Pyrimidine-2,5-diol
The XLogP value of -0.9 indicates that Pyrimidine-2,5-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine-2,5-diol. Following Lipinski's Rule of Five, Pyrimidine-2,5-diol has 2 hydrogen bond donor(s) and 2 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-2,5-diol?
The CAS number of Pyrimidine-2,5-diol is 512-07-2.
What is the molecular formula of Pyrimidine-2,5-diol?
The molecular formula of Pyrimidine-2,5-diol is C1=C(C=NC(=O)N1)O.
What is the molecular weight of Pyrimidine-2,5-diol?
The molecular weight of Pyrimidine-2,5-diol is 112.03 g/mol.
Where can I buy Pyrimidine-2,5-diol?
You can request a quote for Pyrimidine-2,5-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine-2,5-diol?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine-2,5-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.