N,N'-bis(4-methoxybenzyl)-5-nitropyrimidine-4,6-diamine
TL;DR: N,N'-bis(4-methoxybenzyl)-5-nitropyrimidine-4,6-diamine (CAS 300587-93-3) is a chemical compound with molecular formula C20H21N5O4 and molecular weight 395.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N,6-N-bis[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine
Also Known As: BAS 00289116, AE-848/31943015, 5-nitro-4,6-bis[(4-methoxybenzyl)amino]pyrimidine, N,N'-bis(4-methoxybenzyl)-5-nitro-4,6-pyrimidinediamine, N,N'-bis(4-methoxybenzyl)-5-nitropyrimidine-4,6-diamine
| Molecular Formula | C20H21N5O4 |
|---|---|
| Molecular Weight | 395.16 g/mol |
| LogP | 3.6262 |
| Topological Polar Surface Area | 111.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 395.15936 |
| Heavy Atoms | 29 |
| Complexity | 891.86053 |
Chemical Identifiers
| CAS Number | 300587-93-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-] |
Product Overview
N,N'-bis(4-methoxybenzyl)-5-nitropyrimidine-4,6-diamine (CAS 300587-93-3), with molecular formula C20H21N5O4 and molecular weight 395.16 g/mol. IUPAC: 4-N,6-N-bis[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine.
Chemical Property Profile of N,N'-bis(4-methoxybenzyl)-5-nitropyrimidine-4,6-diamine
Property Insights of N,N'-bis(4-methoxybenzyl)-5-nitropyrimidine-4,6-diamine
The XLogP value of 3.6262 indicates that N,N'-bis(4-methoxybenzyl)-5-nitropyrimidine-4,6-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.44 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-bis(4-methoxybenzyl)-5-nitropyrimidine-4,6-diamine. Following Lipinski's Rule of Five, N,N'-bis(4-methoxybenzyl)-5-nitropyrimidine-4,6-diamine has 2 hydrogen bond donor(s) and 8 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,N'-bis(4-methoxybenzyl)-5-nitropyrimidine-4,6-diamine?
The CAS number of N,N'-bis(4-methoxybenzyl)-5-nitropyrimidine-4,6-diamine is 300587-93-3.
What is the molecular formula of N,N'-bis(4-methoxybenzyl)-5-nitropyrimidine-4,6-diamine?
The molecular formula of N,N'-bis(4-methoxybenzyl)-5-nitropyrimidine-4,6-diamine is C20H21N5O4.
What is the molecular weight of N,N'-bis(4-methoxybenzyl)-5-nitropyrimidine-4,6-diamine?
The molecular weight of N,N'-bis(4-methoxybenzyl)-5-nitropyrimidine-4,6-diamine is 395.16 g/mol.
Where can I buy N,N'-bis(4-methoxybenzyl)-5-nitropyrimidine-4,6-diamine?
You can request a quote for N,N'-bis(4-methoxybenzyl)-5-nitropyrimidine-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 N,N'-bis(4-methoxybenzyl)-5-nitropyrimidine-4,6-diamine?
Yes, KEHONG BIO provides custom synthesis services for N,N'-bis(4-methoxybenzyl)-5-nitropyrimidine-4,6-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.