4-Chloro-6-(methylamino)pyrimidine-5-carbonitrile - CAS 872890-15-8
Catalog: |
BB038368 |
Product Name: |
4-Chloro-6-(methylamino)pyrimidine-5-carbonitrile |
CAS: |
872890-15-8 |
Synonyms: |
4-chloro-6-(methylamino)-5-pyrimidinecarbonitrile; 4-chloro-6-(methylamino)pyrimidine-5-carbonitrile |
IUPAC Name: | 4-chloro-6-(methylamino)pyrimidine-5-carbonitrile |
Description: | 4-Chloro-6-(methylamino)pyrimidine-5-carbonitrile (CAS# 872890-15-8 ) is a useful research chemical. |
Molecular Weight: | 168.58 |
Molecular Formula: | C6H5ClN4 |
Canonical SMILES: | CNC1=C(C(=NC=N1)Cl)C#N |
InChI: | InChI=1S/C6H5ClN4/c1-9-6-4(2-8)5(7)10-3-11-6/h3H,1H3,(H,9,10,11) |
InChI Key: | YWJADUNEZVABQA-UHFFFAOYSA-N |
LogP: | 1.11638 |
Publication Number | Title | Priority Date |
EP-1966220-B1 | Mglur1 anatgonists as therapeutic agents | 20051213 |
WO-2007070393-A2 | Mglur1 anatgonists as therapeutic agents | 20051213 |
EP-1765829-B1 | Tricyclic compounds and their use as mglur1 antagonists | 20040615 |
US-2006009477-A1 | mGluR1 antagonists as therapeutic agents | 20040615 |
US-2006167029-A1 | mGluR1 Antagonists as therapeutic agents | 20040615 |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.0202739 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.0202739 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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