2-Aminopyrimidine-5-carbonitrile - CAS 1753-48-6
Catalog: |
BB013126 |
Product Name: |
2-Aminopyrimidine-5-carbonitrile |
CAS: |
1753-48-6 |
Synonyms: |
2-amino-5-pyrimidinecarbonitrile; 2-aminopyrimidine-5-carbonitrile |
IUPAC Name: | 2-aminopyrimidine-5-carbonitrile |
Description: | 2-Aminopyrimidine-5-carbonitrile (CAS# 1753-48-6) is used for the preparation of pyrazinone and pyridinone derivatives as thrombin inhibitors. |
Molecular Weight: | 120.11 |
Molecular Formula: | C5H4N4 |
Canonical SMILES: | C1=C(C=NC(=N1)N)C#N |
InChI: | InChI=1S/C5H4N4/c6-1-4-2-8-5(7)9-3-4/h2-3H,(H2,7,8,9) |
InChI Key: | SEUSFEKWVIFWTN-UHFFFAOYSA-N |
Boiling Point: | 387.862 °C at 760 mmHg |
Density: | 1.346 g/cm3 |
MDL: | MFCD00232791 |
LogP: | 0.51168 |
Publication Number | Title | Priority Date |
WO-2021133957-A1 | Benzimidazole compounds as hdac6 inhibitors | 20191227 |
CN-110256429-A | A kind of amino-metadiazine compound and its preparation method and application with spirane structure | 20190617 |
CN-106866699-B | A kind of diaryl thienopyrimidines HIV-1 reverse transcriptase inhibitor and its preparation method and application | 20170329 |
AU-2017319500-A1 | Inhibitors of cellular metabolic processes | 20160831 |
CA-3034705-A1 | Inhibitors of cellular metabolic processes | 20160831 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 120.043596145 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 120.043596145 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 75.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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