N4-benzyl-N2-isobutyl-5-nitropyrimidine-2,4,6-triamine
TL;DR: N4-benzyl-N2-isobutyl-5-nitropyrimidine-2,4,6-triamine (CAS 673496-47-4) is a chemical compound with molecular formula C15H20N6O2 and molecular weight 316.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-benzyl-2-N-(2-methylpropyl)-5-nitropyrimidine-2,4,6-triamine
Also Known As: N4-benzyl-N2-isobutyl-5-nitropyrimidine-2,4,6-triamine, AB00688436-02, N4-BENZYL-N2-(2-METHYLPROPYL)-5-NITROPYRIMIDINE-2,4,6-TRIAMINE, F2678-0723, {6-amino-2-[(2-methylpropyl)amino]-5-nitropyrimidin-4-yl}benzylamine
| Molecular Formula | C15H20N6O2 |
|---|---|
| Molecular Weight | 316.16 g/mol |
| LogP | 2.647 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.16476 |
| Heavy Atoms | 23 |
| Complexity | 675.16736 |
Chemical Identifiers
| CAS Number | 673496-47-4 |
|---|---|
| SMILES | CC(C)CNC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N |
Product Overview
N4-benzyl-N2-isobutyl-5-nitropyrimidine-2,4,6-triamine (CAS 673496-47-4), with molecular formula C15H20N6O2 and molecular weight 316.16 g/mol. IUPAC: 4-N-benzyl-2-N-(2-methylpropyl)-5-nitropyrimidine-2,4,6-triamine.
Chemical Property Profile of N4-benzyl-N2-isobutyl-5-nitropyrimidine-2,4,6-triamine
Property Insights of N4-benzyl-N2-isobutyl-5-nitropyrimidine-2,4,6-triamine
The XLogP value of 2.647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N4-benzyl-N2-isobutyl-5-nitropyrimidine-2,4,6-triamine. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N4-benzyl-N2-isobutyl-5-nitropyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N4-benzyl-N2-isobutyl-5-nitropyrimidine-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 N4-benzyl-N2-isobutyl-5-nitropyrimidine-2,4,6-triamine?
The CAS number of N4-benzyl-N2-isobutyl-5-nitropyrimidine-2,4,6-triamine is 673496-47-4.
What is the molecular formula of N4-benzyl-N2-isobutyl-5-nitropyrimidine-2,4,6-triamine?
The molecular formula of N4-benzyl-N2-isobutyl-5-nitropyrimidine-2,4,6-triamine is C15H20N6O2.
What is the molecular weight of N4-benzyl-N2-isobutyl-5-nitropyrimidine-2,4,6-triamine?
The molecular weight of N4-benzyl-N2-isobutyl-5-nitropyrimidine-2,4,6-triamine is 316.16 g/mol.
Where can I buy N4-benzyl-N2-isobutyl-5-nitropyrimidine-2,4,6-triamine?
You can request a quote for N4-benzyl-N2-isobutyl-5-nitropyrimidine-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 N4-benzyl-N2-isobutyl-5-nitropyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N4-benzyl-N2-isobutyl-5-nitropyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.