6-(benzylamino)-5-nitro-2,4(1H,3H)-pyrimidinedione
TL;DR: 6-(benzylamino)-5-nitro-2,4(1H,3H)-pyrimidinedione (CAS 343346-87-2) is a chemical compound with molecular formula C11H10N4O4 and molecular weight 262.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(benzylamino)-5-nitro-1H-pyrimidine-2,4-dione
Also Known As: 6-(benzylamino)-5-nitro-1H-pyrimidine-2,4-dione, 6-(benzylamino)-5-nitro-2,4(1H,3H)-pyrimidinedione, J2.748.365H, AB-323/13887093, 5-Nitro-6-(benzylamino)pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C11H10N4O4 |
|---|---|
| Molecular Weight | 262.07 g/mol |
| LogP | 0.5835 |
| Topological Polar Surface Area | 120.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.0702 |
| Heavy Atoms | 19 |
| Complexity | 704.62537 |
Chemical Identifiers
| CAS Number | 343346-87-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C(C(=O)NC(=O)N2)[N+](=O)[O-] |
Product Overview
6-(benzylamino)-5-nitro-2,4(1H,3H)-pyrimidinedione (CAS 343346-87-2), with molecular formula C11H10N4O4 and molecular weight 262.07 g/mol. IUPAC: 6-(benzylamino)-5-nitro-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-(benzylamino)-5-nitro-2,4(1H,3H)-pyrimidinedione
Property Insights of 6-(benzylamino)-5-nitro-2,4(1H,3H)-pyrimidinedione
The XLogP value of 0.5835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(benzylamino)-5-nitro-2,4(1H,3H)-pyrimidinedione. The TPSA of 120.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(benzylamino)-5-nitro-2,4(1H,3H)-pyrimidinedione. Following Lipinski's Rule of Five, 6-(benzylamino)-5-nitro-2,4(1H,3H)-pyrimidinedione has 3 hydrogen bond donor(s) and 5 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 6-(benzylamino)-5-nitro-2,4(1H,3H)-pyrimidinedione?
The CAS number of 6-(benzylamino)-5-nitro-2,4(1H,3H)-pyrimidinedione is 343346-87-2.
What is the molecular formula of 6-(benzylamino)-5-nitro-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 6-(benzylamino)-5-nitro-2,4(1H,3H)-pyrimidinedione is C11H10N4O4.
What is the molecular weight of 6-(benzylamino)-5-nitro-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 6-(benzylamino)-5-nitro-2,4(1H,3H)-pyrimidinedione is 262.07 g/mol.
Where can I buy 6-(benzylamino)-5-nitro-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 6-(benzylamino)-5-nitro-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(benzylamino)-5-nitro-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 6-(benzylamino)-5-nitro-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.