5-bromo-1-methylpyrimidin-2(1H)-one
TL;DR: 5-bromo-1-methylpyrimidin-2(1H)-one (CAS 14248-01-2) is a chemical compound with molecular formula C5H5BrN2O and molecular weight 187.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-methylpyrimidin-2-one
Also Known As: 5-bromo-1-methylpyrimidin-2(1H)-one, 5-bromo-1-methylpyrimidin-2-one, 5-Bromo-1-methyl-2-pyrimidone, 5-bromo-1-methyl-pyrimidin-2-one, 5-Bromo-1-methyl-2-pyrimidinone
| Molecular Formula | C5H5BrN2O |
|---|---|
| Molecular Weight | 187.96 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.95853 |
| Heavy Atoms | 9 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 14248-01-2 |
|---|---|
| SMILES | CN1C=C(C=NC1=O)Br |
| InChIKey | PTRMFRSWZCJCSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-bromo-1-methylpyrimidin-2(1H)-one (CAS 14248-01-2), with molecular formula C5H5BrN2O and molecular weight 187.96 g/mol. IUPAC: 5-bromo-1-methylpyrimidin-2-one.
Chemical Property Profile of 5-bromo-1-methylpyrimidin-2(1H)-one
Property Insights of 5-bromo-1-methylpyrimidin-2(1H)-one
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-1-methylpyrimidin-2(1H)-one. With a topological polar surface area (TPSA) of 32.7 Ų, 5-bromo-1-methylpyrimidin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-1-methylpyrimidin-2(1H)-one has 0 hydrogen bond donor(s) and 1 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 5-bromo-1-methylpyrimidin-2(1H)-one?
The CAS number of 5-bromo-1-methylpyrimidin-2(1H)-one is 14248-01-2.
What is the molecular formula of 5-bromo-1-methylpyrimidin-2(1H)-one?
The molecular formula of 5-bromo-1-methylpyrimidin-2(1H)-one is C5H5BrN2O.
What is the molecular weight of 5-bromo-1-methylpyrimidin-2(1H)-one?
The molecular weight of 5-bromo-1-methylpyrimidin-2(1H)-one is 187.96 g/mol.
Where can I buy 5-bromo-1-methylpyrimidin-2(1H)-one?
You can request a quote for 5-bromo-1-methylpyrimidin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-1-methylpyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-1-methylpyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.