N~4~-benzyl-4,5,6-pyrimidinetriamine
TL;DR: N~4~-benzyl-4,5,6-pyrimidinetriamine (CAS 58469-92-4) is a chemical compound with molecular formula C11H13N5 and molecular weight 215.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-benzylpyrimidine-4,5,6-triamine
Also Known As: N4-benzyl-pyrimidine-4,5,6-triamine, 4-N-benzylpyrimidine-4,5,6-triamine, N~4~-benzyl-4,5,6-pyrimidinetriamine, 4-amino-6-(benzylamino)-5-pyrimidinylamine, AE-848/08334024
| Molecular Formula | C11H13N5 |
|---|---|
| Molecular Weight | 215.12 g/mol |
| LogP | 1.2531 |
| Topological Polar Surface Area | 89.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.1171 |
| Heavy Atoms | 16 |
| Complexity | 469.05606 |
Chemical Identifiers
| CAS Number | 58469-92-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=NC=NC(=C2N)N |
Product Overview
N~4~-benzyl-4,5,6-pyrimidinetriamine (CAS 58469-92-4), with molecular formula C11H13N5 and molecular weight 215.12 g/mol. IUPAC: 4-N-benzylpyrimidine-4,5,6-triamine.
Chemical Property Profile of N~4~-benzyl-4,5,6-pyrimidinetriamine
Property Insights of N~4~-benzyl-4,5,6-pyrimidinetriamine
The XLogP value of 1.2531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~4~-benzyl-4,5,6-pyrimidinetriamine. The TPSA of 89.85 Ų falls within the moderate polarity range, balancing permeability and solubility for N~4~-benzyl-4,5,6-pyrimidinetriamine. Following Lipinski's Rule of Five, N~4~-benzyl-4,5,6-pyrimidinetriamine has 3 hydrogen bond donor(s) and 5 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~-benzyl-4,5,6-pyrimidinetriamine?
The CAS number of N~4~-benzyl-4,5,6-pyrimidinetriamine is 58469-92-4.
What is the molecular formula of N~4~-benzyl-4,5,6-pyrimidinetriamine?
The molecular formula of N~4~-benzyl-4,5,6-pyrimidinetriamine is C11H13N5.
What is the molecular weight of N~4~-benzyl-4,5,6-pyrimidinetriamine?
The molecular weight of N~4~-benzyl-4,5,6-pyrimidinetriamine is 215.12 g/mol.
Where can I buy N~4~-benzyl-4,5,6-pyrimidinetriamine?
You can request a quote for N~4~-benzyl-4,5,6-pyrimidinetriamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~4~-benzyl-4,5,6-pyrimidinetriamine?
Yes, KEHONG BIO provides custom synthesis services for N~4~-benzyl-4,5,6-pyrimidinetriamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.