2-Amino-6-phenyl-4(3H)-pyrimidone - CAS 56741-94-7
Catalog: |
BB029479 |
Product Name: |
2-Amino-6-phenyl-4(3H)-pyrimidone |
CAS: |
56741-94-7 |
Synonyms: |
2-amino-4-phenyl-1H-pyrimidin-6-one; 2-amino-4-phenyl-1H-pyrimidin-6-one |
IUPAC Name: | 2-amino-4-phenyl-1H-pyrimidin-6-one |
Description: | 2-Amino-4-hydroxy-6-phenylpyrimidine has been utilized in the investigation of 2-aminopyrimidines as potential non-natural nucleobase analogues. |
Molecular Weight: | 187.20 |
Molecular Formula: | C10H9N3O |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC(=O)NC(=N2)N |
InChI: | InChI=1S/C10H9N3O/c11-10-12-8(6-9(14)13-10)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14) |
InChI Key: | KXYGHDWFGFZJPJ-UHFFFAOYSA-N |
Boiling Point: | 374.5 °C at 760 mmHg |
Density: | 1.33 g/cm3 |
Appearance: | White to very pale yellow crystal powder |
MDL: | MFCD00296928 |
LogP: | 2.01260 |
GHS Hazard Statement: | H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-107930577-A | There is the modified bentonite adsorbent of absorption property to the orthophosphates in water body | 20171225 |
CN-108059205-A | For the up-flow adsorptive reactor of orthophosphates in Adsorption waste water | 20171225 |
CN-108067191-A | For the reactor assembly of orthophosphates in Adsorption waste water | 20171225 |
WO-2008015977-A1 | PROCESS FOR PRODUCTION OF (±)-3a,6,6,9aâ€" TETRAMETHYLDECAHYDRONAPHTHO[2,1-b]FURAN-2(1H)-ONE | 20060731 |
US-2009062282-A1 | Substituted Amino-Pyrimidones and Uses Thereof | 20041015 |
PMID | Publication Date | Title | Journal |
24508129 | 20140301 | HTS followed by NMR based counterscreening. Discovery and optimization of pyrimidones as reversible and competitive inhibitors of xanthine oxidase | Bioorganic & medicinal chemistry letters |
Complexity: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.074561919 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.074561919 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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