Methyl 2-Cyanopyrimidine-5-carboxylate - CAS 933989-25-4
Catalog: |
BB040905 |
Product Name: |
Methyl 2-Cyanopyrimidine-5-carboxylate |
CAS: |
933989-25-4 |
Synonyms: |
2-cyano-5-pyrimidinecarboxylic acid methyl ester; methyl 2-cyanopyrimidine-5-carboxylate |
IUPAC Name: | methyl 2-cyanopyrimidine-5-carboxylate |
Description: | Methyl 2-Cyanopyrimidine-5-carboxylate (CAS# 933989-25-4) is a useful research chemical. |
Molecular Weight: | 163.13 |
Molecular Formula: | C7H5N3O2 |
Canonical SMILES: | COC(=O)C1=CN=C(N=C1)C#N |
InChI: | InChI=1S/C7H5N3O2/c1-12-7(11)5-3-9-6(2-8)10-4-5/h3-4H,1H3 |
InChI Key: | ZAMJTUFENMZUSJ-UHFFFAOYSA-N |
LogP: | 0.13488 |
Publication Number | Title | Priority Date |
AU-2008232771-A1 | Pyrimidine hydrazide compounds as PGDS inhibitors | 20070330 |
AU-2008232771-B2 | Pyrimidine hydrazide compounds as PGDS inhibitors | 20070330 |
CA-2682629-A1 | Pyrimidine hydrazide compounds as pgds inhibitors | 20070330 |
CA-2682629-C | Pyrimidine hydrazide compounds as pgds inhibitors | 20070330 |
EP-2142516-A1 | Pyrimidine hydrazide compounds as pgds inhibitors | 20070330 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.038176411 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.038176411 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 75.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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