N-(4-fluorobenzyl)-5-iodo-2,6-dimethyl-4-pyrimidinamine
TL;DR: N-(4-fluorobenzyl)-5-iodo-2,6-dimethyl-4-pyrimidinamine (CAS 677749-61-0) is a chemical compound with molecular formula C13H13FIN3 and molecular weight 357.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-fluorophenyl)methyl]-5-iodo-2,6-dimethylpyrimidin-4-amine
Also Known As: N-(4-fluorobenzyl)-5-iodo-2,6-dimethyl-4-pyrimidinamine, N-[(4-fluorophenyl)methyl]-5-iodo-2,6-dimethylpyrimidin-4-amine, 9P-728, N-[(4-fluorophenyl)methyl]-5-iodo-2,6-dimethyl-pyrimidin-4-amine
| Molecular Formula | C13H13FIN3 |
|---|---|
| Molecular Weight | 357.01 g/mol |
| LogP | 3.44924 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.01382 |
| Heavy Atoms | 18 |
| Complexity | 554.90796 |
Chemical Identifiers
| CAS Number | 677749-61-0 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)C)NCC2=CC=C(C=C2)F)I |
Product Overview
N-(4-fluorobenzyl)-5-iodo-2,6-dimethyl-4-pyrimidinamine (CAS 677749-61-0), with molecular formula C13H13FIN3 and molecular weight 357.01 g/mol. IUPAC: N-[(4-fluorophenyl)methyl]-5-iodo-2,6-dimethylpyrimidin-4-amine.
Chemical Property Profile of N-(4-fluorobenzyl)-5-iodo-2,6-dimethyl-4-pyrimidinamine
Property Insights of N-(4-fluorobenzyl)-5-iodo-2,6-dimethyl-4-pyrimidinamine
The XLogP value of 3.44924 indicates that N-(4-fluorobenzyl)-5-iodo-2,6-dimethyl-4-pyrimidinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.81 Ų, N-(4-fluorobenzyl)-5-iodo-2,6-dimethyl-4-pyrimidinamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-fluorobenzyl)-5-iodo-2,6-dimethyl-4-pyrimidinamine has 1 hydrogen bond donor(s) and 3 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-fluorobenzyl)-5-iodo-2,6-dimethyl-4-pyrimidinamine?
The CAS number of N-(4-fluorobenzyl)-5-iodo-2,6-dimethyl-4-pyrimidinamine is 677749-61-0.
What is the molecular formula of N-(4-fluorobenzyl)-5-iodo-2,6-dimethyl-4-pyrimidinamine?
The molecular formula of N-(4-fluorobenzyl)-5-iodo-2,6-dimethyl-4-pyrimidinamine is C13H13FIN3.
What is the molecular weight of N-(4-fluorobenzyl)-5-iodo-2,6-dimethyl-4-pyrimidinamine?
The molecular weight of N-(4-fluorobenzyl)-5-iodo-2,6-dimethyl-4-pyrimidinamine is 357.01 g/mol.
Where can I buy N-(4-fluorobenzyl)-5-iodo-2,6-dimethyl-4-pyrimidinamine?
You can request a quote for N-(4-fluorobenzyl)-5-iodo-2,6-dimethyl-4-pyrimidinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-fluorobenzyl)-5-iodo-2,6-dimethyl-4-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorobenzyl)-5-iodo-2,6-dimethyl-4-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.