N2-methyl-5-nitro-N4-phenylpyrimidine-2,4,6-triamine
TL;DR: N2-methyl-5-nitro-N4-phenylpyrimidine-2,4,6-triamine (CAS 577986-51-7) is a chemical compound with molecular formula C11H12N6O2 and molecular weight 260.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-methyl-5-nitro-4-N-phenylpyrimidine-2,4,6-triamine
Also Known As: ML231 Analog, N2-methyl-5-nitro-N4-phenylpyrimidine-2,4,6-triamine, ksc-26-50, KUC106521N-02, KSC-8-247-6
| Molecular Formula | C11H12N6O2 |
|---|---|
| Molecular Weight | 260.10 g/mol |
| LogP | 1.7523 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.10217 |
| Heavy Atoms | 19 |
| Complexity | 601.63446 |
Chemical Identifiers
| CAS Number | 577986-51-7 |
|---|---|
| SMILES | CNC1=NC(=C(C(=N1)NC2=CC=CC=C2)[N+](=O)[O-])N |
Product Overview
N2-methyl-5-nitro-N4-phenylpyrimidine-2,4,6-triamine (CAS 577986-51-7), with molecular formula C11H12N6O2 and molecular weight 260.10 g/mol. IUPAC: 2-N-methyl-5-nitro-4-N-phenylpyrimidine-2,4,6-triamine.
Chemical Property Profile of N2-methyl-5-nitro-N4-phenylpyrimidine-2,4,6-triamine
Property Insights of N2-methyl-5-nitro-N4-phenylpyrimidine-2,4,6-triamine
The XLogP value of 1.7523 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N2-methyl-5-nitro-N4-phenylpyrimidine-2,4,6-triamine. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N2-methyl-5-nitro-N4-phenylpyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N2-methyl-5-nitro-N4-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 N2-methyl-5-nitro-N4-phenylpyrimidine-2,4,6-triamine?
The CAS number of N2-methyl-5-nitro-N4-phenylpyrimidine-2,4,6-triamine is 577986-51-7.
What is the molecular formula of N2-methyl-5-nitro-N4-phenylpyrimidine-2,4,6-triamine?
The molecular formula of N2-methyl-5-nitro-N4-phenylpyrimidine-2,4,6-triamine is C11H12N6O2.
What is the molecular weight of N2-methyl-5-nitro-N4-phenylpyrimidine-2,4,6-triamine?
The molecular weight of N2-methyl-5-nitro-N4-phenylpyrimidine-2,4,6-triamine is 260.10 g/mol.
Where can I buy N2-methyl-5-nitro-N4-phenylpyrimidine-2,4,6-triamine?
You can request a quote for N2-methyl-5-nitro-N4-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 N2-methyl-5-nitro-N4-phenylpyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N2-methyl-5-nitro-N4-phenylpyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.