NCIOpen2_003593
TL;DR: NCIOpen2_003593 (CAS 72063-12-8) is a chemical compound with molecular formula C5H6BrN3O2 and molecular weight 218.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5-bromo-3-methyl-1H-pyrimidine-2,4-dione
Also Known As: NCIOpen2_003593, 6-amino-5-bromo-3-methylpyrimidine-2,4(1h,3h)-dione, 6-amino-5-bromo-3-methyl-1H-pyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione,6-amino-5-bromo-3-methyl-, 6-amino-5-bromo-3-methyl-2,4(1H,3H)-pyrimidinedione
| Molecular Formula | C5H6BrN3O2 |
|---|---|
| Molecular Weight | 218.96 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.96434 |
| Heavy Atoms | 11 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 72063-12-8 |
|---|---|
| SMILES | CN1C(=O)C(=C(NC1=O)N)Br |
| InChIKey | MCWBXSSDBPTWRX-UHFFFAOYSA-N |
Product Overview
NCIOpen2_003593 (CAS 72063-12-8), with molecular formula C5H6BrN3O2 and molecular weight 218.96 g/mol. IUPAC: 6-amino-5-bromo-3-methyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of NCIOpen2_003593
Property Insights of NCIOpen2_003593
The XLogP value of -0.4 indicates that NCIOpen2_003593 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_003593. Following Lipinski's Rule of Five, NCIOpen2_003593 has 2 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 NCIOpen2_003593?
The CAS number of NCIOpen2_003593 is 72063-12-8.
What is the molecular formula of NCIOpen2_003593?
The molecular formula of NCIOpen2_003593 is C5H6BrN3O2.
What is the molecular weight of NCIOpen2_003593?
The molecular weight of NCIOpen2_003593 is 218.96 g/mol.
Where can I buy NCIOpen2_003593?
You can request a quote for NCIOpen2_003593 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_003593?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_003593 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.