![5-Nitro-N,N-bis[phenylmethyl]-2,4-pyrimidinediamine structure](/static/products/938/93873-71-3.png)
5-Nitro-N,N-bis[phenylmethyl]-2,4-pyrimidinediamine
TL;DR: 5-Nitro-N,N-bis[phenylmethyl]-2,4-pyrimidinediamine (CAS 93873-71-3) is a chemical compound with molecular formula C18H17N5O2 and molecular weight 335.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N,4-N-dibenzyl-5-nitropyrimidine-2,4-diamine
Also Known As: N,N'-dibenzyl-5-nitropyrimidine-2,4-diamine, 5-Nitro-N,N-bis[phenylmethyl]-2,4-pyrimidinediamine, 2-N,4-N-dibenzyl-5-nitropyrimidine-2,4-diamine, {5-nitro-2-[benzylamino]pyrimidin-4-yl}benzylamine
| Molecular Formula | C18H17N5O2 |
|---|---|
| Molecular Weight | 335.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.1382 |
| Heavy Atoms | 25 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 93873-71-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3 |
| InChIKey | PXBDMTLMRFXTAG-UHFFFAOYSA-N |
Product Overview
5-Nitro-N,N-bis[phenylmethyl]-2,4-pyrimidinediamine (CAS 93873-71-3), with molecular formula C18H17N5O2 and molecular weight 335.14 g/mol. IUPAC: 2-N,4-N-dibenzyl-5-nitropyrimidine-2,4-diamine.
Chemical Property Profile of 5-Nitro-N,N-bis[phenylmethyl]-2,4-pyrimidinediamine
Property Insights of 5-Nitro-N,N-bis[phenylmethyl]-2,4-pyrimidinediamine
The XLogP value of 4.2 indicates that 5-Nitro-N,N-bis[phenylmethyl]-2,4-pyrimidinediamine 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-N,N-bis[phenylmethyl]-2,4-pyrimidinediamine. Following Lipinski's Rule of Five, 5-Nitro-N,N-bis[phenylmethyl]-2,4-pyrimidinediamine 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-N,N-bis[phenylmethyl]-2,4-pyrimidinediamine?
The CAS number of 5-Nitro-N,N-bis[phenylmethyl]-2,4-pyrimidinediamine is 93873-71-3.
What is the molecular formula of 5-Nitro-N,N-bis[phenylmethyl]-2,4-pyrimidinediamine?
The molecular formula of 5-Nitro-N,N-bis[phenylmethyl]-2,4-pyrimidinediamine is C18H17N5O2.
What is the molecular weight of 5-Nitro-N,N-bis[phenylmethyl]-2,4-pyrimidinediamine?
The molecular weight of 5-Nitro-N,N-bis[phenylmethyl]-2,4-pyrimidinediamine is 335.14 g/mol.
Where can I buy 5-Nitro-N,N-bis[phenylmethyl]-2,4-pyrimidinediamine?
You can request a quote for 5-Nitro-N,N-bis[phenylmethyl]-2,4-pyrimidinediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-N,N-bis[phenylmethyl]-2,4-pyrimidinediamine?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-N,N-bis[phenylmethyl]-2,4-pyrimidinediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.