![4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine structure](/static/products/836/836634-02-7.png)
4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine
TL;DR: 4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine (CAS 836634-02-7) is a chemical compound with molecular formula C16H23N7O2 and molecular weight 345.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine
Also Known As: 4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine, N~4~-benzyl-N~2~-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine, N4-benzyl-N2-(3-(dimethylamino)propyl)-5-nitropyrimidine-2,4,6-triamine, N4-benzyl-N2-(3-dimethylaminopropyl)-5-nitro-pyrimidine-2,4,6-triamine, [3-({4-amino-5-nitro-6-[benzylamino]pyrimidin-2-yl}amino)propyl]dimethylamine
| Molecular Formula | C16H23N7O2 |
|---|---|
| Molecular Weight | 345.19 g/mol |
| LogP | 1.9427 |
| Topological Polar Surface Area | 122.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 345.1913 |
| Heavy Atoms | 25 |
| Complexity | 707.12946 |
Chemical Identifiers
| CAS Number | 836634-02-7 |
|---|---|
| SMILES | CN(C)CCCNC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N |
Product Overview
4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine (CAS 836634-02-7), with molecular formula C16H23N7O2 and molecular weight 345.19 g/mol. IUPAC: 4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of 4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine
Property Insights of 4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine
The XLogP value of 1.9427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine. The TPSA of 122.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, 4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine has 3 hydrogen bond donor(s) and 8 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-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine?
The CAS number of 4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine is 836634-02-7.
What is the molecular formula of 4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine?
The molecular formula of 4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine is C16H23N7O2.
What is the molecular weight of 4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine?
The molecular weight of 4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine is 345.19 g/mol.
Where can I buy 4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine?
You can request a quote for 4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for 4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.