5-Chloro-2-hydroxy-pyrimidine - CAS 54326-16-8
Catalog: |
BB028603 |
Product Name: |
5-Chloro-2-hydroxy-pyrimidine |
CAS: |
54326-16-8 |
Synonyms: |
5-Chloropyrimidin-2-ol |
IUPAC Name: | 5-chloro-1H-pyrimidin-2-one |
Description: | 5-Chloro-2-hydroxy-pyrimidine (CAS# 54326-16-8) is used to prepare dimethoxy-pyrrolidylquinazolines as brain penetrable PDE10A inhibitors. It is also used in the synthesis of platinum(II) hydroxypyrimidinato ethylenediamine tetranuclear metallacalix[4]arene complexes. |
Molecular Weight: | 130.53 |
Molecular Formula: | C4H3ClN2O |
Canonical SMILES: | C1=C(C=NC(=O)N1)Cl |
InChI: | InChI=1S/C4H3ClN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8) |
InChI Key: | OCSYCDVQABSEPJ-UHFFFAOYSA-N |
Purity: | ≥ 98 % |
Density: | 1.55 g/cm3 |
Appearance: | Pale yellow crystals |
Storage: | Store at 2-8 °C |
MDL: | MFCD00129723 |
LogP: | 0.42330 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2017506229-A | 4'-Difluoromethyl substituted nucleoside derivatives as inhibitors of influenza RNA replication | 20140206 |
JP-6581100-B2 | 4'-Difluoromethyl substituted nucleoside derivatives as inhibitors of influenza RNA replication | 20140206 |
CN-105392779-A | Tetrazolinone compound, and use therefor | 20130731 |
US-2015299123-A1 | S1p and/or atx modulating agents | 20121120 |
WO-2010122171-A1 | 5-heteroarylmethyl-i- (b-mercapto- [1,2, 4 -triazolylmethyl) -cyclopentanol as fungicides | 20090424 |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 129.9933904 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 129.9933904 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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