4-Chloro-2-methylpyrimidine
TL;DR: 4-Chloro-2-methylpyrimidine (CAS 4994-86-9) is a chemical compound with molecular formula C5H5ClN2 and molecular weight 128.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methylpyrimidine
Also Known As: 4-Chloro-2-methylpyrimidine, Pyrimidine, 4-chloro-2-methyl-, 4-Chloro-2-methyl-pyrimidine, Dasatinib Impurity R, 2-methyl-4-chloropyrimidine
| Molecular Formula | C5H5ClN2 |
|---|---|
| Molecular Weight | 128.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 25.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.01413 |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 4994-86-9 |
|---|---|
| SMILES | CC1=NC=CC(=N1)Cl |
| InChIKey | WDTVJRYCMIZPMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-methylpyrimidine (CAS 4994-86-9), with molecular formula C5H5ClN2 and molecular weight 128.01 g/mol. IUPAC: 4-chloro-2-methylpyrimidine.
Chemical Property Profile of 4-Chloro-2-methylpyrimidine
Property Insights of 4-Chloro-2-methylpyrimidine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-methylpyrimidine. With a topological polar surface area (TPSA) of 25.8 Ų, 4-Chloro-2-methylpyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-methylpyrimidine has 0 hydrogen bond donor(s) and 2 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 4-Chloro-2-methylpyrimidine?
The CAS number of 4-Chloro-2-methylpyrimidine is 4994-86-9.
What is the molecular formula of 4-Chloro-2-methylpyrimidine?
The molecular formula of 4-Chloro-2-methylpyrimidine is C5H5ClN2.
What is the molecular weight of 4-Chloro-2-methylpyrimidine?
The molecular weight of 4-Chloro-2-methylpyrimidine is 128.01 g/mol.
Where can I buy 4-Chloro-2-methylpyrimidine?
You can request a quote for 4-Chloro-2-methylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-methylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-methylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.