N-(3,4-Dimethyl-phenyl)-N'-furan-2-ylmethyl-5-nitro-pyrimidine-2,4,6-triamine
TL;DR: N-(3,4-Dimethyl-phenyl)-N'-furan-2-ylmethyl-5-nitro-pyrimidine-2,4,6-triamine (CAS 714227-90-4) is a chemical compound with molecular formula C17H18N6O3 and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-(3,4-dimethylphenyl)-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine
Also Known As: N2-(3,4-DIMETHYLPHENYL)-N4-(FURAN-2-YLMETHYL)-5-NITROPYRIMIDINE-2,4,6-TRIAMINE, {6-amino-2-[(3,4-dimethylphenyl)amino]-5-nitropyrimidin-4-yl}(2-furylmethyl)am ine, 2-N-(3,4-dimethylphenyl)-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine, N-(3,4-Dimethyl-phenyl)-N'-furan-2-ylmethyl-5-nitro-pyrimidine-2,4,6-triamine, N~2~-(3,4-dimethylphenyl)-N~4~-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine
| Molecular Formula | C17H18N6O3 |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 3.53254 |
| Topological Polar Surface Area | 132.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.14404 |
| Heavy Atoms | 26 |
| Complexity | 939.9213 |
Chemical Identifiers
| CAS Number | 714227-90-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)NCC3=CC=CO3)[N+](=O)[O-])N)C |
Product Overview
N-(3,4-Dimethyl-phenyl)-N'-furan-2-ylmethyl-5-nitro-pyrimidine-2,4,6-triamine (CAS 714227-90-4), with molecular formula C17H18N6O3 and molecular weight 354.14 g/mol. IUPAC: 2-N-(3,4-dimethylphenyl)-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of N-(3,4-Dimethyl-phenyl)-N'-furan-2-ylmethyl-5-nitro-pyrimidine-2,4,6-triamine
Property Insights of N-(3,4-Dimethyl-phenyl)-N'-furan-2-ylmethyl-5-nitro-pyrimidine-2,4,6-triamine
The XLogP value of 3.53254 indicates that N-(3,4-Dimethyl-phenyl)-N'-furan-2-ylmethyl-5-nitro-pyrimidine-2,4,6-triamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.14 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-Dimethyl-phenyl)-N'-furan-2-ylmethyl-5-nitro-pyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N-(3,4-Dimethyl-phenyl)-N'-furan-2-ylmethyl-5-nitro-pyrimidine-2,4,6-triamine has 3 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-(3,4-Dimethyl-phenyl)-N'-furan-2-ylmethyl-5-nitro-pyrimidine-2,4,6-triamine?
The CAS number of N-(3,4-Dimethyl-phenyl)-N'-furan-2-ylmethyl-5-nitro-pyrimidine-2,4,6-triamine is 714227-90-4.
What is the molecular formula of N-(3,4-Dimethyl-phenyl)-N'-furan-2-ylmethyl-5-nitro-pyrimidine-2,4,6-triamine?
The molecular formula of N-(3,4-Dimethyl-phenyl)-N'-furan-2-ylmethyl-5-nitro-pyrimidine-2,4,6-triamine is C17H18N6O3.
What is the molecular weight of N-(3,4-Dimethyl-phenyl)-N'-furan-2-ylmethyl-5-nitro-pyrimidine-2,4,6-triamine?
The molecular weight of N-(3,4-Dimethyl-phenyl)-N'-furan-2-ylmethyl-5-nitro-pyrimidine-2,4,6-triamine is 354.14 g/mol.
Where can I buy N-(3,4-Dimethyl-phenyl)-N'-furan-2-ylmethyl-5-nitro-pyrimidine-2,4,6-triamine?
You can request a quote for N-(3,4-Dimethyl-phenyl)-N'-furan-2-ylmethyl-5-nitro-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-(3,4-Dimethyl-phenyl)-N'-furan-2-ylmethyl-5-nitro-pyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-Dimethyl-phenyl)-N'-furan-2-ylmethyl-5-nitro-pyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.