| CAS Number | 685866-81-3 |
| Catalog Number | AG00IBUW(AGN-PC-0BULU2) |
| Chemical Name | 2,4-Dimethoxy-5-phenylpyrimidine |
| IUPAC Name | 2,4-dimethoxy-5-phenylpyrimidine |
| InChI | InChI=1S/C12H12N2O2/c1-15-11-10(8-13-12(14-11)16-2)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChI Key | PWSVFGHOWWIASZ-UHFFFAOYSA-N |
| MDL Number | MFCD18074208 |
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.2359 |
| SMILES | COc1nc(OC)ncc1c1ccccc1 |
| Synonyms | 2,4-Dimethoxy-5-phenylpyrimidine,
685866-81-3,
2,4-Dimethoxy-5-phenyl-pyrimidine,
SCHEMBL3767625,
PWSVFGHOWWIASZ-UHFFFAOYSA-N,
ZINC95495956,
Pyrimidine, 2,4-dimethoxy-5-phenyl-,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.24g/mol |
| Monoisotopic Mass | 216.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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