N~2~-Benzyl-5-nitrosopyrimidine-2,4,6-triamine
TL;DR: N~2~-Benzyl-5-nitrosopyrimidine-2,4,6-triamine (CAS 5250-35-1) is a chemical compound with molecular formula C11H12N6O and molecular weight 244.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N-benzyl-5-nitrosopyrimidine-2,4,6-triamine
Also Known As: N~2~-Benzyl-5-nitrosopyrimidine-2,4,6-triamine, 2-N-benzyl-5-nitrosopyrimidine-2,4,6-triamine, 2,4,6-Pyrimidinetriamine, 5-nitroso-N2-(phenylmethyl)-, 5-NITROSO-N2-(PHENYLMETHYL)-2,6-PYRIMIDINETRIAMINE
| Molecular Formula | C11H12N6O |
|---|---|
| Molecular Weight | 244.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.10725 |
| Heavy Atoms | 18 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 5250-35-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=NC(=C(C(=N2)N)N=O)N |
| InChIKey | VUNLDEBNURYWHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N~2~-Benzyl-5-nitrosopyrimidine-2,4,6-triamine (CAS 5250-35-1), with molecular formula C11H12N6O and molecular weight 244.11 g/mol. IUPAC: 2-N-benzyl-5-nitrosopyrimidine-2,4,6-triamine.
Chemical Property Profile of N~2~-Benzyl-5-nitrosopyrimidine-2,4,6-triamine
Property Insights of N~2~-Benzyl-5-nitrosopyrimidine-2,4,6-triamine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~2~-Benzyl-5-nitrosopyrimidine-2,4,6-triamine. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N~2~-Benzyl-5-nitrosopyrimidine-2,4,6-triamine. Following Lipinski's Rule of Five, N~2~-Benzyl-5-nitrosopyrimidine-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~2~-Benzyl-5-nitrosopyrimidine-2,4,6-triamine?
The CAS number of N~2~-Benzyl-5-nitrosopyrimidine-2,4,6-triamine is 5250-35-1.
What is the molecular formula of N~2~-Benzyl-5-nitrosopyrimidine-2,4,6-triamine?
The molecular formula of N~2~-Benzyl-5-nitrosopyrimidine-2,4,6-triamine is C11H12N6O.
What is the molecular weight of N~2~-Benzyl-5-nitrosopyrimidine-2,4,6-triamine?
The molecular weight of N~2~-Benzyl-5-nitrosopyrimidine-2,4,6-triamine is 244.11 g/mol.
Where can I buy N~2~-Benzyl-5-nitrosopyrimidine-2,4,6-triamine?
You can request a quote for N~2~-Benzyl-5-nitrosopyrimidine-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~2~-Benzyl-5-nitrosopyrimidine-2,4,6-triamine?
Yes, KEHONG BIO provides custom synthesis services for N~2~-Benzyl-5-nitrosopyrimidine-2,4,6-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.