4-N-benzyl-5-nitro-2-N-phenylpyrimidine-2,4,6-triamine
TL;DR: 4-N-benzyl-5-nitro-2-N-phenylpyrimidine-2,4,6-triamine (CAS 372174-71-5) is a chemical compound with molecular formula C17H16N6O2 and molecular weight 336.13 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-phenylpyrimidine-2,4,6-triamine
Also Known As: 4-N-benzyl-5-nitro-2-N-phenylpyrimidine-2,4,6-triamine, BIM-0016570.P001, N'-Benzyl-5-nitro-N-phenyl-pyrimidine-2,4,6-triamine, N~4~-benzyl-5-nitro-N~2~-phenylpyrimidine-2,4,6-triamine, N4-BENZYL-5-NITRO-N2-PHENYLPYRIMIDINE-2,4,6-TRIAMINE
| Molecular Formula | C17H16N6O2 |
|---|---|
| Molecular Weight | 336.13 g/mol |
| LogP | 3.3227 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.13348 |
| Heavy Atoms | 25 |
| Complexity | 871.06635 |
Chemical Identifiers
| CAS Number | 372174-71-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=CC=CC=C3 |
Product Overview
4-N-benzyl-5-nitro-2-N-phenylpyrimidine-2,4,6-triamine (CAS 372174-71-5), with molecular formula C17H16N6O2 and molecular weight 336.13 g/mol. IUPAC: 4-N-benzyl-5-nitro-2-N-phenylpyrimidine-2,4,6-triamine.
Chemical Property Profile of 4-N-benzyl-5-nitro-2-N-phenylpyrimidine-2,4,6-triamine
Property Insights of 4-N-benzyl-5-nitro-2-N-phenylpyrimidine-2,4,6-triamine
The XLogP value of 3.3227 indicates that 4-N-benzyl-5-nitro-2-N-phenylpyrimidine-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 4-N-benzyl-5-nitro-2-N-phenylpyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, 4-N-benzyl-5-nitro-2-N-phenylpyrimidine-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 4-N-benzyl-5-nitro-2-N-phenylpyrimidine-2,4,6-triamine?
The CAS number of 4-N-benzyl-5-nitro-2-N-phenylpyrimidine-2,4,6-triamine is 372174-71-5.
What is the molecular formula of 4-N-benzyl-5-nitro-2-N-phenylpyrimidine-2,4,6-triamine?
The molecular formula of 4-N-benzyl-5-nitro-2-N-phenylpyrimidine-2,4,6-triamine is C17H16N6O2.
What is the molecular weight of 4-N-benzyl-5-nitro-2-N-phenylpyrimidine-2,4,6-triamine?
The molecular weight of 4-N-benzyl-5-nitro-2-N-phenylpyrimidine-2,4,6-triamine is 336.13 g/mol.
Where can I buy 4-N-benzyl-5-nitro-2-N-phenylpyrimidine-2,4,6-triamine?
You can request a quote for 4-N-benzyl-5-nitro-2-N-phenylpyrimidine-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-5-nitro-2-N-phenylpyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for 4-N-benzyl-5-nitro-2-N-phenylpyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.