N~4~-benzyl-6-fluoropyrimidine-2,4-diamine
TL;DR: N~4~-benzyl-6-fluoropyrimidine-2,4-diamine (CAS 188987-79-3) is a chemical compound with molecular formula C11H11FN4 and molecular weight 218.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-benzyl-6-fluoropyrimidine-2,4-diamine
Also Known As: 4-N-benzyl-6-fluoropyrimidine-2,4-diamine, N~4~-benzyl-6-fluoropyrimidine-2,4-diamine, BAS 00489193, (2-amino-6-fluoropyrimidin-4-yl)benzylamine, N~4~-benzyl-6-fluoro-2,4-pyrimidinediamine
| Molecular Formula | C11H11FN4 |
|---|---|
| Molecular Weight | 218.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 63.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.09677 |
| Heavy Atoms | 16 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 188987-79-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=CC(=NC(=N2)N)F |
| InChIKey | ATIHFEARYJMWDF-UHFFFAOYSA-N |
Product Overview
N~4~-benzyl-6-fluoropyrimidine-2,4-diamine (CAS 188987-79-3), with molecular formula C11H11FN4 and molecular weight 218.10 g/mol. IUPAC: 4-N-benzyl-6-fluoropyrimidine-2,4-diamine.
Chemical Property Profile of N~4~-benzyl-6-fluoropyrimidine-2,4-diamine
Property Insights of N~4~-benzyl-6-fluoropyrimidine-2,4-diamine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~4~-benzyl-6-fluoropyrimidine-2,4-diamine. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N~4~-benzyl-6-fluoropyrimidine-2,4-diamine. Following Lipinski's Rule of Five, N~4~-benzyl-6-fluoropyrimidine-2,4-diamine has 2 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-6-fluoropyrimidine-2,4-diamine?
The CAS number of N~4~-benzyl-6-fluoropyrimidine-2,4-diamine is 188987-79-3.
What is the molecular formula of N~4~-benzyl-6-fluoropyrimidine-2,4-diamine?
The molecular formula of N~4~-benzyl-6-fluoropyrimidine-2,4-diamine is C11H11FN4.
What is the molecular weight of N~4~-benzyl-6-fluoropyrimidine-2,4-diamine?
The molecular weight of N~4~-benzyl-6-fluoropyrimidine-2,4-diamine is 218.10 g/mol.
Where can I buy N~4~-benzyl-6-fluoropyrimidine-2,4-diamine?
You can request a quote for N~4~-benzyl-6-fluoropyrimidine-2,4-diamine 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-6-fluoropyrimidine-2,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~4~-benzyl-6-fluoropyrimidine-2,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.