6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione
TL;DR: 6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione (CAS 54107-70-9) is a chemical compound with molecular formula C4H4ClN3O2 and molecular weight 161.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-chloro-1H-pyrimidine-2,4-dione
Also Known As: 6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione, 6-amino-5-chlorouracil, 5-chloro-6-aminouracil, 6-amino-5-chloro-1H-pyrimidine-2,4-dione, 5-chloro-6-hydroxycytosine
| Molecular Formula | C4H4ClN3O2 |
|---|---|
| Molecular Weight | 161.00 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.9992 |
| Heavy Atoms | 10 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 54107-70-9 |
|---|---|
| SMILES | C1(=C(NC(=O)NC1=O)N)Cl |
| InChIKey | SPEJHKMQDKKCTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione (CAS 54107-70-9), with molecular formula C4H4ClN3O2 and molecular weight 161.00 g/mol. IUPAC: 6-amino-5-chloro-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione
Property Insights of 6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione
The XLogP value of -0.6 indicates that 6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione has 3 hydrogen bond donor(s) and 3 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 6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione?
The CAS number of 6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione is 54107-70-9.
What is the molecular formula of 6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione?
The molecular formula of 6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione is C4H4ClN3O2.
What is the molecular weight of 6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione?
The molecular weight of 6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione is 161.00 g/mol.
Where can I buy 6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione?
You can request a quote for 6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-5-chloropyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.