3-Methyl-4,5-diaminouracil
TL;DR: 3-Methyl-4,5-diaminouracil (CAS 6972-82-3) is a chemical compound with molecular formula C5H8N4O2 and molecular weight 156.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-diamino-1-methylpyrimidine-2,4-dione
Also Known As: 5,6-DIAMINO-1-METHYLURACIL, 3-Methyl-4,5-diaminouracil, Linagliptin Impurity 85, 6-Diamino-1-methyluracil, 1-Methyl-5,6-diaminouracil
| Molecular Formula | C5H8N4O2 |
|---|---|
| Molecular Weight | 156.06 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.06473 |
| Heavy Atoms | 11 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 6972-82-3 |
|---|---|
| SMILES | CN1C(=C(C(=O)NC1=O)N)N |
| InChIKey | PSIJQVXIJHUQPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-4,5-diaminouracil (CAS 6972-82-3), with molecular formula C5H8N4O2 and molecular weight 156.06 g/mol. IUPAC: 5,6-diamino-1-methylpyrimidine-2,4-dione.
Chemical Property Profile of 3-Methyl-4,5-diaminouracil
Property Insights of 3-Methyl-4,5-diaminouracil
The XLogP value of -1.4 indicates that 3-Methyl-4,5-diaminouracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4,5-diaminouracil. Following Lipinski's Rule of Five, 3-Methyl-4,5-diaminouracil has 3 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 3-Methyl-4,5-diaminouracil?
The CAS number of 3-Methyl-4,5-diaminouracil is 6972-82-3.
What is the molecular formula of 3-Methyl-4,5-diaminouracil?
The molecular formula of 3-Methyl-4,5-diaminouracil is C5H8N4O2.
What is the molecular weight of 3-Methyl-4,5-diaminouracil?
The molecular weight of 3-Methyl-4,5-diaminouracil is 156.06 g/mol.
Where can I buy 3-Methyl-4,5-diaminouracil?
You can request a quote for 3-Methyl-4,5-diaminouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4,5-diaminouracil?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4,5-diaminouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.