N~4~-(3,4-dimethylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine
TL;DR: N~4~-(3,4-dimethylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine (CAS 578723-47-4) is a chemical compound with molecular formula C20H22N6O2 and molecular weight 378.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(3,4-dimethylphenyl)-5-nitro-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
Also Known As: 4-N-(3,4-dimethylphenyl)-5-nitro-2-N-phenethylpyrimidine-2,4,6-triamine, N4-(3,4-dimethylphenyl)-5-nitro-N2-phenethylpyrimidine-2,4,6-triamine, {6-amino-5-nitro-2-[(2-phenylethyl)amino]pyrimidin-4-yl}(3,4-dimethylphenyl)am ine, N~4~-(3,4-dimethylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine
| Molecular Formula | C20H22N6O2 |
|---|---|
| Molecular Weight | 378.18 g/mol |
| LogP | 3.98204 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 378.18042 |
| Heavy Atoms | 28 |
| Complexity | 991.48615 |
Chemical Identifiers
| CAS Number | 578723-47-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC3=CC=CC=C3)C |
Product Overview
N~4~-(3,4-dimethylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine (CAS 578723-47-4), with molecular formula C20H22N6O2 and molecular weight 378.18 g/mol. IUPAC: 4-N-(3,4-dimethylphenyl)-5-nitro-2-N-(2-phenylethyl)pyrimidine-2,4,6-triamine.
Chemical Property Profile of N~4~-(3,4-dimethylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine
Property Insights of N~4~-(3,4-dimethylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine
The XLogP value of 3.98204 indicates that N~4~-(3,4-dimethylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N~4~-(3,4-dimethylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N~4~-(3,4-dimethylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-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 N~4~-(3,4-dimethylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine?
The CAS number of N~4~-(3,4-dimethylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine is 578723-47-4.
What is the molecular formula of N~4~-(3,4-dimethylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine?
The molecular formula of N~4~-(3,4-dimethylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine is C20H22N6O2.
What is the molecular weight of N~4~-(3,4-dimethylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine?
The molecular weight of N~4~-(3,4-dimethylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine is 378.18 g/mol.
Where can I buy N~4~-(3,4-dimethylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine?
You can request a quote for N~4~-(3,4-dimethylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-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 N~4~-(3,4-dimethylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N~4~-(3,4-dimethylphenyl)-5-nitro-N~2~-(2-phenylethyl)pyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.