6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione
TL;DR: 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione (CAS 4318-56-3) is a chemical compound with molecular formula C5H5ClN2O2 and molecular weight 160.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-methyl-1H-pyrimidine-2,4-dione
Also Known As: 6-Chloro-3-methyluracil, 3-Methyl-6-chlorouracil, 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione, ceritinib, 6-chloro-3-methyl-1H-pyrimidine-2,4-dione
| Molecular Formula | C5H5ClN2O2 |
|---|---|
| Molecular Weight | 160.00 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.00395 |
| Heavy Atoms | 10 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 4318-56-3 |
|---|---|
| SMILES | CN1C(=O)C=C(NC1=O)Cl |
| InChIKey | SGLXGFAZAARYJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione (CAS 4318-56-3), with molecular formula C5H5ClN2O2 and molecular weight 160.00 g/mol. IUPAC: 6-chloro-3-methyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione
Property Insights of 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione has 1 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 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione?
The CAS number of 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione is 4318-56-3.
What is the molecular formula of 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione?
The molecular formula of 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione is C5H5ClN2O2.
What is the molecular weight of 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione?
The molecular weight of 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione is 160.00 g/mol.
Where can I buy 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione?
You can request a quote for 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.