N4-benzyl-N2,N2-dimethyl-5-nitropyrimidine-2,4,6-triamine
TL;DR: N4-benzyl-N2,N2-dimethyl-5-nitropyrimidine-2,4,6-triamine (CAS 577999-58-7) is a chemical compound with molecular formula C13H16N6O2 and molecular weight 288.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-benzyl-2-N,2-N-dimethyl-5-nitropyrimidine-2,4,6-triamine
Also Known As: N4-benzyl-N2,N2-dimethyl-5-nitropyrimidine-2,4,6-triamine, 4-N-benzyl-2-N,2-N-dimethyl-5-nitropyrimidine-2,4,6-triamine, N'-Benzyl-N,N-dimethyl-5-nitro-pyrimidine-2,4,6-triamine, {4-amino-5-nitro-6-[benzylamino]pyrimidin-2-yl}dimethylamine, N~4~-benzyl-N~2~,N~2~-dimethyl-5-nitropyrimidine-2,4,6-triamine
| Molecular Formula | C13H16N6O2 |
|---|---|
| Molecular Weight | 288.13 g/mol |
| LogP | 1.6451 |
| Topological Polar Surface Area | 110.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.13348 |
| Heavy Atoms | 21 |
| Complexity | 644.6098 |
Chemical Identifiers
| CAS Number | 577999-58-7 |
|---|---|
| SMILES | CN(C)C1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N |
Product Overview
N4-benzyl-N2,N2-dimethyl-5-nitropyrimidine-2,4,6-triamine (CAS 577999-58-7), with molecular formula C13H16N6O2 and molecular weight 288.13 g/mol. IUPAC: 4-N-benzyl-2-N,2-N-dimethyl-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of N4-benzyl-N2,N2-dimethyl-5-nitropyrimidine-2,4,6-triamine
Property Insights of N4-benzyl-N2,N2-dimethyl-5-nitropyrimidine-2,4,6-triamine
The XLogP value of 1.6451 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N4-benzyl-N2,N2-dimethyl-5-nitropyrimidine-2,4,6-triamine. The TPSA of 110.21 Ų falls within the moderate polarity range, balancing permeability and solubility for N4-benzyl-N2,N2-dimethyl-5-nitropyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N4-benzyl-N2,N2-dimethyl-5-nitropyrimidine-2,4,6-triamine has 2 hydrogen bond donor(s) and 7 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 N4-benzyl-N2,N2-dimethyl-5-nitropyrimidine-2,4,6-triamine?
The CAS number of N4-benzyl-N2,N2-dimethyl-5-nitropyrimidine-2,4,6-triamine is 577999-58-7.
What is the molecular formula of N4-benzyl-N2,N2-dimethyl-5-nitropyrimidine-2,4,6-triamine?
The molecular formula of N4-benzyl-N2,N2-dimethyl-5-nitropyrimidine-2,4,6-triamine is C13H16N6O2.
What is the molecular weight of N4-benzyl-N2,N2-dimethyl-5-nitropyrimidine-2,4,6-triamine?
The molecular weight of N4-benzyl-N2,N2-dimethyl-5-nitropyrimidine-2,4,6-triamine is 288.13 g/mol.
Where can I buy N4-benzyl-N2,N2-dimethyl-5-nitropyrimidine-2,4,6-triamine?
You can request a quote for N4-benzyl-N2,N2-dimethyl-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 N4-benzyl-N2,N2-dimethyl-5-nitropyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N4-benzyl-N2,N2-dimethyl-5-nitropyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.