5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine
TL;DR: 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine (CAS 54706-01-3) is a chemical compound with molecular formula C16H13N5O2 and molecular weight 307.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine
Also Known As: 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine, 5-Nitro-N^4^,N^6^-diphenylpyrimidine-4,6-diamine, 5-Nitro-N~4~,N~6~-diphenylpyrimidine-4,6-diamine
| Molecular Formula | C16H13N5O2 |
|---|---|
| Molecular Weight | 307.11 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.10693 |
| Heavy Atoms | 23 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 54706-01-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3)[N+](=O)[O-] |
| InChIKey | KPYIJACZWVDOOQ-UHFFFAOYSA-N |
Product Overview
5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine (CAS 54706-01-3), with molecular formula C16H13N5O2 and molecular weight 307.11 g/mol. IUPAC: 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine.
Chemical Property Profile of 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine
Property Insights of 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine
The XLogP value of 4.9 indicates that 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine. Following Lipinski's Rule of Five, 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine has 2 hydrogen bond donor(s) and 6 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 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine?
The CAS number of 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine is 54706-01-3.
What is the molecular formula of 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine?
The molecular formula of 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine is C16H13N5O2.
What is the molecular weight of 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine?
The molecular weight of 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine is 307.11 g/mol.
Where can I buy 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine?
You can request a quote for 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.