6-Amino-5-bromo-4-pyrimidinol - CAS 6312-71-6
Catalog: |
BB032011 |
Product Name: |
6-Amino-5-bromo-4-pyrimidinol |
CAS: |
6312-71-6 |
Synonyms: |
4-amino-5-bromo-1H-pyrimidin-6-one; 4-amino-5-bromo-1H-pyrimidin-6-one |
IUPAC Name: | 4-amino-5-bromo-1H-pyrimidin-6-one |
Description: | 6-Amino-5-bromo-4-pyrimidinol (CAS# 6312-71-6) is a useful research chemical compound. |
Molecular Weight: | 190.00 |
Molecular Formula: | C4H4BrN3O |
Canonical SMILES: | C1=NC(=C(C(=O)N1)Br)N |
InChI: | InChI=1S/C4H4BrN3O/c5-2-3(6)7-1-8-4(2)9/h1H,(H3,6,7,8,9) |
InChI Key: | HZDFWPAVCWGZPV-UHFFFAOYSA-N |
Boiling Point: | 220.4 °C at 760 mmHg |
Density: | 2.25 g/cm3 |
LogP: | 0.69580 |
PMID | Publication Date | Title | Journal |
17870212 | 20080601 | Xanthine oxidase-activated prodrugs of thymidine phosphorylase inhibitors | European journal of medicinal chemistry |
15454205 | 20041101 | Synthesis and enzymatic evaluation of xanthine oxidase-activated prodrugs based on inhibitors of thymidine phosphorylase | Bioorganic & medicinal chemistry letters |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.95377 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.95377 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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