4,5-Diamino-3-isobutyl-1-methylpyrimidine-2,6-dione
TL;DR: 4,5-Diamino-3-isobutyl-1-methylpyrimidine-2,6-dione (CAS 78033-18-8) is a chemical compound with molecular formula C9H16N4O2 and molecular weight 212.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
Also Known As: 4,5-DIAMINO-3-ISOBUTYL-1-METHYLPYRIMIDINE-2,6-DIONE, 5,6-DIAMINO-1-ISOBUTYL-3-METHYLURACIL, 5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione, J1.791.190B, 2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-3-methyl-1-(2-methylpropyl)-
| Molecular Formula | C9H16N4O2 |
|---|---|
| Molecular Weight | 212.13 g/mol |
| LogP | -0.6326 |
| Topological Polar Surface Area | 96.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.12732 |
| Heavy Atoms | 15 |
| Complexity | 484.11133 |
Chemical Identifiers
| CAS Number | 78033-18-8 |
|---|---|
| SMILES | CC(C)CN1C(=C(C(=O)N(C1=O)C)N)N |
Product Overview
4,5-Diamino-3-isobutyl-1-methylpyrimidine-2,6-dione (CAS 78033-18-8), with molecular formula C9H16N4O2 and molecular weight 212.13 g/mol. IUPAC: 5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.
Chemical Property Profile of 4,5-Diamino-3-isobutyl-1-methylpyrimidine-2,6-dione
Property Insights of 4,5-Diamino-3-isobutyl-1-methylpyrimidine-2,6-dione
The XLogP value of -0.6326 indicates that 4,5-Diamino-3-isobutyl-1-methylpyrimidine-2,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Diamino-3-isobutyl-1-methylpyrimidine-2,6-dione. Following Lipinski's Rule of Five, 4,5-Diamino-3-isobutyl-1-methylpyrimidine-2,6-dione has 2 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-3-isobutyl-1-methylpyrimidine-2,6-dione?
The CAS number of 4,5-Diamino-3-isobutyl-1-methylpyrimidine-2,6-dione is 78033-18-8.
What is the molecular formula of 4,5-Diamino-3-isobutyl-1-methylpyrimidine-2,6-dione?
The molecular formula of 4,5-Diamino-3-isobutyl-1-methylpyrimidine-2,6-dione is C9H16N4O2.
What is the molecular weight of 4,5-Diamino-3-isobutyl-1-methylpyrimidine-2,6-dione?
The molecular weight of 4,5-Diamino-3-isobutyl-1-methylpyrimidine-2,6-dione is 212.13 g/mol.
Where can I buy 4,5-Diamino-3-isobutyl-1-methylpyrimidine-2,6-dione?
You can request a quote for 4,5-Diamino-3-isobutyl-1-methylpyrimidine-2,6-dione 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-3-isobutyl-1-methylpyrimidine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Diamino-3-isobutyl-1-methylpyrimidine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.