5-Bromo-1-methyl-2-pyrimidone - CAS 14248-01-2
Catalog: |
BB009376 |
Product Name: |
5-Bromo-1-methyl-2-pyrimidone |
CAS: |
14248-01-2 |
Synonyms: |
5-bromo-1-methyl-2-pyrimidinone; 5-bromo-1-methylpyrimidin-2-one |
IUPAC Name: | 5-bromo-1-methylpyrimidin-2-one |
Description: | 5-Bromo-1-methyl-2-pyrimidone (CAS# 14248-01-2) is a useful research chemical. |
Molecular Weight: | 189.01 |
Molecular Formula: | C5H5BrN2O |
Canonical SMILES: | CN1C=C(C=NC1=O)Br |
InChI: | InChI=1S/C5H5BrN2O/c1-8-3-4(6)2-7-5(8)9/h2-3H,1H3 |
InChI Key: | PTRMFRSWZCJCSP-UHFFFAOYSA-N |
Boiling Point: | 215.9 °C at 760 mmHg |
Density: | 1.73 g/cm3 |
LogP: | 0.54280 |
Publication Number | Title | Priority Date |
US-2020140459-A1 | Heterocyclic compounds as bet inhibitors | 20181030 |
CN-113226322-A | Heterocyclic compounds as BET inhibitors | 20181030 |
AU-2016311425-A1 | Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders | 20150826 |
EA-034781-B1 | Aryl, heteroaryl and heterocyclic compounds for the treatment of disorder mediated by complement factor D | 20150826 |
JP-2018526367-A | Aryl, heteroaryl and heterocyclic compounds for the treatment of medical disorders | 20150826 |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.95853 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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