| CAS Number | 1210370-42-5 |
| Catalog Number | AG019XHN(AGN-PC-0WOAO5) |
| Chemical Name | 2-(4-Aminophenyl)-6-methyl-3,4-dihydropyrimidin-4-one |
| IUPAC Name | 2-(4-aminophenyl)-4-methyl-1H-pyrimidin-6-one |
| InChI | InChI=1S/C11H11N3O/c1-7-6-10(15)14-11(13-7)8-2-4-9(12)5-3-8/h2-6H,12H2,1H3,(H,13,14,15) |
| InChI Key | MORZWQNHAIEWLM-UHFFFAOYSA-N |
| MDL Number | MFCD13196165 |
| Molecular Formula | C11H11N3O |
| Molecular Weight | 201.2245 |
| SMILES | CC1N=C(C2=CC=C(N)C=C2)NC(=O)C=1 |
| Synonyms | 2-(4-aminophenyl)-6-methyl-3,4-dihydropyrimidin-4-one,
1210370-42-5,
AC1Q2HCM,
CTK7D7305,
ZINC38342413,
AKOS010757524,
MCULE-3369880443,
NE33577,
EN300-55024,
2-(4-aminophenyl)-6-methylpyrimidin-4(3H)-one,
Z875024178,
|
| 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 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number