N~4~-benzyl-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine
TL;DR: N~4~-benzyl-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine (CAS 840455-36-9) 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.
4-N-benzyl-5-nitro-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
Also Known As: N~4~-benzyl-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine, 4-N-benzyl-5-nitro-2-N-phenethylpyrimidine-2,4,6-triamine, N4-benzyl-5-nitro-N2-phenethylpyrimidine-2,4,6-triamine, 4-N-benzyl-5-nitro-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine, {6-amino-5-nitro-2-[(2-phenylethyl)amino]pyrimidin-4-yl}benzylamine
| Molecular Formula | C19H20N6O2 |
|---|---|
| Molecular Weight | 364.16 g/mol |
| LogP | 3.2337 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.16476 |
| Heavy Atoms | 27 |
| Complexity | 902.83325 |
Chemical Identifiers
| CAS Number | 840455-36-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N |
Product Overview
N~4~-benzyl-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine (CAS 840455-36-9), with molecular formula C19H20N6O2 and molecular weight 364.16 g/mol. IUPAC: 4-N-benzyl-5-nitro-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine.
Chemical Property Profile of N~4~-benzyl-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine
Property Insights of N~4~-benzyl-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine
The XLogP value of 3.2337 indicates that N~4~-benzyl-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine 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~4~-benzyl-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N~4~-benzyl-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine 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~4~-benzyl-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine?
The CAS number of N~4~-benzyl-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine is 840455-36-9.
What is the molecular formula of N~4~-benzyl-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine?
The molecular formula of N~4~-benzyl-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine is C19H20N6O2.
What is the molecular weight of N~4~-benzyl-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine?
The molecular weight of N~4~-benzyl-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine is 364.16 g/mol.
Where can I buy N~4~-benzyl-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine?
You can request a quote for N~4~-benzyl-5-nitro-N~2~-(2-phenylethyl)pyrimidine-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 N~4~-benzyl-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N~4~-benzyl-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.