6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione
TL;DR: 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione (CAS 18592-13-7) 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-(chloromethyl)-1H-pyrimidine-2,4-dione
Also Known As: 6-(Chloromethyl)uracil, 6-Chloromethyluracil, 6-(chloromethyl)pyrimidine-2,4(1h,3h)-dione, 4-chloromethyluracil, 4-(Chloromethyl)uracil
| Molecular Formula | C5H5ClN2O2 |
|---|---|
| Molecular Weight | 160.00 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.00395 |
| Heavy Atoms | 10 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 18592-13-7 |
|---|---|
| SMILES | C1=C(NC(=O)NC1=O)CCl |
| InChIKey | VCFXBAPEXBTNEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione (CAS 18592-13-7), with molecular formula C5H5ClN2O2 and molecular weight 160.00 g/mol. IUPAC: 6-(chloromethyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione
Property Insights of 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione
The XLogP value of -0.7 indicates that 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.2 Ų, 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione has 2 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-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione?
The CAS number of 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione is 18592-13-7.
What is the molecular formula of 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione is C5H5ClN2O2.
What is the molecular weight of 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione is 160.00 g/mol.
Where can I buy 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.