N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-5-nitro-2,4,6-pyrimidinetriamine
TL;DR: N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-5-nitro-2,4,6-pyrimidinetriamine (CAS 575461-80-2) is a chemical compound with molecular formula C19H20N6O2 and molecular weight 364.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-benzyl-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine
Also Known As: AO-022/43349329, N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-5-nitro-2,4,6-pyrimidinetriamine, 2-N-benzyl-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine, {6-amino-5-nitro-2-[benzylamino]pyrimidin-4-yl}(3,4-dimethylphenyl)amine, N2-benzyl-N4-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine
| Molecular Formula | C19H20N6O2 |
|---|---|
| Molecular Weight | 364.16 g/mol |
| LogP | 3.93954 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.16476 |
| Heavy Atoms | 27 |
| Complexity | 975.43396 |
Chemical Identifiers
| CAS Number | 575461-80-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CC=C3)C |
Product Overview
N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-5-nitro-2,4,6-pyrimidinetriamine (CAS 575461-80-2), with molecular formula C19H20N6O2 and molecular weight 364.16 g/mol. IUPAC: 2-N-benzyl-4-N-(3,4-dimethylphenyl)-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-5-nitro-2,4,6-pyrimidinetriamine
Property Insights of N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-5-nitro-2,4,6-pyrimidinetriamine
The XLogP value of 3.93954 indicates that N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-5-nitro-2,4,6-pyrimidinetriamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-5-nitro-2,4,6-pyrimidinetriamine. Following Lipinski's Rule of Five, N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-5-nitro-2,4,6-pyrimidinetriamine has 3 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 N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-5-nitro-2,4,6-pyrimidinetriamine?
The CAS number of N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-5-nitro-2,4,6-pyrimidinetriamine is 575461-80-2.
What is the molecular formula of N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-5-nitro-2,4,6-pyrimidinetriamine?
The molecular formula of N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-5-nitro-2,4,6-pyrimidinetriamine is C19H20N6O2.
What is the molecular weight of N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-5-nitro-2,4,6-pyrimidinetriamine?
The molecular weight of N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-5-nitro-2,4,6-pyrimidinetriamine is 364.16 g/mol.
Where can I buy N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-5-nitro-2,4,6-pyrimidinetriamine?
You can request a quote for N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-5-nitro-2,4,6-pyrimidinetriamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-5-nitro-2,4,6-pyrimidinetriamine?
Yes, KEHONG BIO provides custom synthesis services for N~2~-benzyl-N~4~-(3,4-dimethylphenyl)-5-nitro-2,4,6-pyrimidinetriamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.