N-benzylpyrimidin-2-amine
TL;DR: N-benzylpyrimidin-2-amine (CAS 4214-59-9) is a chemical compound with molecular formula C11H11N3 and molecular weight 185.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzylpyrimidin-2-amine
Also Known As: N-benzylpyrimidin-2-amine, Benzyliminopyrimidin, benzylaminopyrimidine, N-(benzyl)-2-aminopyrimidine, N-Benzyl-2-pyrimidinamine
| Molecular Formula | C11H11N3 |
|---|---|
| Molecular Weight | 185.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 37.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.09529 |
| Heavy Atoms | 14 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 4214-59-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=NC=CC=N2 |
| InChIKey | XLWNLCSWRLEMJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-benzylpyrimidin-2-amine (CAS 4214-59-9), with molecular formula C11H11N3 and molecular weight 185.10 g/mol. IUPAC: N-benzylpyrimidin-2-amine.
Chemical Property Profile of N-benzylpyrimidin-2-amine
Property Insights of N-benzylpyrimidin-2-amine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzylpyrimidin-2-amine. With a topological polar surface area (TPSA) of 37.8 Ų, N-benzylpyrimidin-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzylpyrimidin-2-amine 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-benzylpyrimidin-2-amine?
The CAS number of N-benzylpyrimidin-2-amine is 4214-59-9.
What is the molecular formula of N-benzylpyrimidin-2-amine?
The molecular formula of N-benzylpyrimidin-2-amine is C11H11N3.
What is the molecular weight of N-benzylpyrimidin-2-amine?
The molecular weight of N-benzylpyrimidin-2-amine is 185.10 g/mol.
Where can I buy N-benzylpyrimidin-2-amine?
You can request a quote for N-benzylpyrimidin-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzylpyrimidin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzylpyrimidin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.