| CAS Number | 1087792-32-2 |
| Catalog Number | AG019MW1(AGN-PC-0WO8FB) |
| Chemical Name | 6-(4-Aminophenyl)-2-methyl-3,4-dihydropyrimidin-4-one |
| IUPAC Name | 4-(4-aminophenyl)-2-methyl-1H-pyrimidin-6-one |
| InChI | InChI=1S/C11H11N3O/c1-7-13-10(6-11(15)14-7)8-2-4-9(12)5-3-8/h2-6H,12H2,1H3,(H,13,14,15) |
| InChI Key | HUALXPGBEZSXNZ-UHFFFAOYSA-N |
| MDL Number | MFCD11099555 |
| Molecular Formula | C11H11N3O |
| Molecular Weight | 201.2245 |
| SMILES | CC1NC(=O)C=C(C2=CC=C(N)C=C2)N=1 |
| Synonyms | 6-(4-aminophenyl)-2-methyl-3,4-dihydropyrimidin-4-one,
1087792-32-2,
6-(4-aminophenyl)-2-methylpyrimidin-4(3H)-one,
AC1Q2OQ5,
CTK7D7236,
ZINC32627302,
AKOS022407205,
AKOS022771349,
MCULE-8494289480,
NE21470,
EN300-37487,
Z397585700,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.229g/mol |
| Monoisotopic Mass | 201.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number