4,5-Diamino-6-hydroxy-2-mercaptopyrimidine
TL;DR: 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine (CAS 1246816-80-7) is a chemical compound with molecular formula C4H6N4OS and molecular weight 158.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-diamino-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 4,5-Diamino-2-thiouracil, 5,6-Diamino-2-thiouracil, 5,6-Diamino-4-hydroxy-2-mercaptopyrimidine, 2-Mercapto-4-hydroxy-5,6-diaminopyrimidine, 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine
| Molecular Formula | C4H6N4OS |
|---|---|
| Molecular Weight | 158.03 g/mol |
| LogP | -0.40311 |
| Topological Polar Surface Area | 100.69 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.02623 |
| Heavy Atoms | 10 |
| Complexity | 351.0106 |
Chemical Identifiers
| CAS Number | 1246816-80-7 |
|---|---|
| SMILES | C1(=C(NC(=S)NC1=O)N)N |
Product Overview
4,5-Diamino-6-hydroxy-2-mercaptopyrimidine (CAS 1246816-80-7), with molecular formula C4H6N4OS and molecular weight 158.03 g/mol. IUPAC: 5,6-diamino-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine
Property Insights of 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine
The XLogP value of -0.40311 indicates that 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine. Following Lipinski's Rule of Five, 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine has 4 hydrogen bond donor(s) and 4 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 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine?
The CAS number of 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine is 1246816-80-7.
What is the molecular formula of 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine?
The molecular formula of 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine is C4H6N4OS.
What is the molecular weight of 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine?
The molecular weight of 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine is 158.03 g/mol.
Where can I buy 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine?
You can request a quote for 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.