![5-[(3-Bromophenyl)amino]pyrimidine-2,4(1h,3h)-dione structure](/static/products/4961/49612-06-8.webp)
5-[(3-Bromophenyl)amino]pyrimidine-2,4(1h,3h)-dione
TL;DR: 5-[(3-Bromophenyl)amino]pyrimidine-2,4(1h,3h)-dione (CAS 49612-06-8) is a chemical compound with molecular formula C10H8BrN3O2 and molecular weight 280.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-bromoanilino)-1H-pyrimidine-2,4-dione
Also Known As: NCIOpen2_005586, 5-(3-bromoanilino)-1H-pyrimidine-2,4-dione, 5-[(3-bromophenyl)amino]pyrimidine-2,4(1h,3h)-dione, 3,5-Diamino-6-chloropyrazinecarboxylic acid, 5-((3-Bromophenyl)amino)pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C10H8BrN3O2 |
|---|---|
| Molecular Weight | 280.98 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.97998 |
| Heavy Atoms | 16 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 49612-06-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)NC2=CNC(=O)NC2=O |
| InChIKey | DRJCFHMUNJZILK-UHFFFAOYSA-N |
Product Overview
5-[(3-Bromophenyl)amino]pyrimidine-2,4(1h,3h)-dione (CAS 49612-06-8), with molecular formula C10H8BrN3O2 and molecular weight 280.98 g/mol. IUPAC: 5-(3-bromoanilino)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-[(3-Bromophenyl)amino]pyrimidine-2,4(1h,3h)-dione
Property Insights of 5-[(3-Bromophenyl)amino]pyrimidine-2,4(1h,3h)-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(3-Bromophenyl)amino]pyrimidine-2,4(1h,3h)-dione. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(3-Bromophenyl)amino]pyrimidine-2,4(1h,3h)-dione. Following Lipinski's Rule of Five, 5-[(3-Bromophenyl)amino]pyrimidine-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 5-[(3-Bromophenyl)amino]pyrimidine-2,4(1h,3h)-dione?
The CAS number of 5-[(3-Bromophenyl)amino]pyrimidine-2,4(1h,3h)-dione is 49612-06-8.
What is the molecular formula of 5-[(3-Bromophenyl)amino]pyrimidine-2,4(1h,3h)-dione?
The molecular formula of 5-[(3-Bromophenyl)amino]pyrimidine-2,4(1h,3h)-dione is C10H8BrN3O2.
What is the molecular weight of 5-[(3-Bromophenyl)amino]pyrimidine-2,4(1h,3h)-dione?
The molecular weight of 5-[(3-Bromophenyl)amino]pyrimidine-2,4(1h,3h)-dione is 280.98 g/mol.
Where can I buy 5-[(3-Bromophenyl)amino]pyrimidine-2,4(1h,3h)-dione?
You can request a quote for 5-[(3-Bromophenyl)amino]pyrimidine-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 5-[(3-Bromophenyl)amino]pyrimidine-2,4(1h,3h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3-Bromophenyl)amino]pyrimidine-2,4(1h,3h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.