Methyl 4-Phenylpyrimidine-2-carboxylate - CAS 74647-40-8
Catalog: |
BB035126 |
Product Name: |
Methyl 4-Phenylpyrimidine-2-carboxylate |
CAS: |
74647-40-8 |
Synonyms: |
4-phenyl-2-pyrimidinecarboxylic acid methyl ester; methyl 4-phenylpyrimidine-2-carboxylate |
IUPAC Name: | methyl 4-phenylpyrimidine-2-carboxylate |
Description: | Methyl 4-Phenylpyrimidine-2-carboxylate (CAS# 74647-40-8 ) is a useful research chemical. |
Molecular Weight: | 214.22 |
Molecular Formula: | C12H10N2O2 |
Canonical SMILES: | COC(=O)C1=NC=CC(=N1)C2=CC=CC=C2 |
InChI: | InChI=1S/C12H10N2O2/c1-16-12(15)11-13-8-7-10(14-11)9-5-3-2-4-6-9/h2-8H,1H3 |
InChI Key: | CUKXRIDBAMITNG-UHFFFAOYSA-N |
LogP: | 1.93020 |
Publication Number | Title | Priority Date |
EP-1893634-A2 | Pyrimidine derivatives and their use as p2y12 receptor antagonists | 20050428 |
WO-2006114774-A2 | Pyrimidine derivatives and their use as p2y12 receptor antagonists | 20050428 |
WO-2006114774-A3 | Pyrimidine derivatives and their use as p2y12 receptor antagonists | 20050428 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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