Methyl 2-(Bromomethyl)pyrimidine-5-carboxylate - CAS 76196-68-4
Catalog: |
BB063758 |
Product Name: |
Methyl 2-(Bromomethyl)pyrimidine-5-carboxylate |
CAS: |
76196-68-4 |
Synonyms: |
Methyl 5-(Bromomethyl)-2-pyrimidinecarboxylate |
IUPAC Name: | methyl 5-(bromomethyl)pyrimidine-2-carboxylate |
Description: | Methyl 2-(Bromomethyl)pyrimidine-5-carboxylate is used in the preparation of aza analogs of 4- aminomethylbenzoic acid with antifibrinolytic properties. |
Molecular Weight: | 231.05 |
Molecular Formula: | C7H7BrN2O2 |
Canonical SMILES: | COC(=O)C1=NC=C(C=N1)CBr |
InChI: | InChI=1S/C7H7BrN2O2/c1-12-7(11)6-9-3-5(2-8)4-10-6/h3-4H,2H2,1H3 |
InChI Key: | DIEUUFGWUSTOIW-UHFFFAOYSA-N |
References: | Isoda, S., et al. Chem. Pharm. Bull., 28, 1408 (1980). |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.96909 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.96909 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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