1- (Pyrimidin- 2- yl) ethanamine - CAS 944906-24-5
Catalog: |
BB057901 |
Product Name: |
1- (Pyrimidin- 2- yl) ethanamine |
CAS: |
944906-24-5 |
Synonyms: |
α-Methyl-2-pyrimidinemethanamine; 2-(1-Aminoethyl)pyrimidine; [1-(Pyrimidin-2-yl)ethyl]amine |
IUPAC Name: | 1-pyrimidin-2-ylethanamine |
Description: | 1- (Pyrimidin- 2- yl) ethanamine is a reagent in the synthesis of benzimidazole derivatives as PDE10A inhibitors (phosphodiesterase 10A) which is proven to be useful in treatment of cognitive and negative symptoms of schizophrenia. |
Molecular Weight: | 123.16 |
Molecular Formula: | C6H9N3 |
Canonical SMILES: | CC(C1=NC=CC=N1)N |
InChI: | InChI=1S/C6H9N3/c1-5(7)6-8-3-2-4-9-6/h2-5H,7H2,1H3 |
InChI Key: | GVPDKCZQAZOFJX-UHFFFAOYSA-N |
References: | Chino, A. et al. Bioorg. Med. Chem., 22, 3515 (2014). |
Complexity: | 78.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 123.0796473 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 123.0796473 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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