2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)-
TL;DR: 2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)- (CAS 289636-44-8) is a chemical compound with molecular formula C19H19N5O2 and molecular weight 349.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-benzyl-3-nitrophenyl)-6-ethylpyrimidine-2,4-diamine
Also Known As: 2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)-, NCI60_003646, 6-Ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)-2,4-pyrimidinediamine, 5-(4-benzyl-3-nitrophenyl)-6-ethylpyrimidine-2,4-diamine, 5-(4-benzyl-3-nitro-phenyl)-6-ethyl-pyrimidine-2,4-diamine
| Molecular Formula | C19H19N5O2 |
|---|---|
| Molecular Weight | 349.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.15387 |
| Heavy Atoms | 26 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 289636-44-8 |
|---|---|
| SMILES | CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)CC3=CC=CC=C3)[N+](=O)[O-] |
| InChIKey | AGEVNTXDTUYAHG-UHFFFAOYSA-N |
Product Overview
2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)- (CAS 289636-44-8), with molecular formula C19H19N5O2 and molecular weight 349.15 g/mol. IUPAC: 5-(4-benzyl-3-nitrophenyl)-6-ethylpyrimidine-2,4-diamine.
Chemical Property Profile of 2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)-
Property Insights of 2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)-
The XLogP value of 3.8 indicates that 2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)-. Following Lipinski's Rule of Five, 2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)- 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 2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)-?
The CAS number of 2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)- is 289636-44-8.
What is the molecular formula of 2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)-?
The molecular formula of 2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)- is C19H19N5O2.
What is the molecular weight of 2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)-?
The molecular weight of 2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)- is 349.15 g/mol.
Where can I buy 2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)-?
You can request a quote for 2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pyrimidinediamine, 6-ethyl-5-(3-nitro-4-(phenylmethyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.