| CAS Number | 1017782-49-8 |
| Catalog Number | AG00IRLH(AGN-PC-0WAXTC) |
| Chemical Name | 6-Chloro-N-methyl-2-phenylpyrimidin-4-amine |
| IUPAC Name | 6-chloro-N-methyl-2-phenylpyrimidin-4-amine |
| InChI | InChI=1S/C11H10ClN3/c1-13-10-7-9(12)14-11(15-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14,15) |
| InChI Key | WWDBWADSTGHCMG-UHFFFAOYSA-N |
| MDL Number | MFCD00697490 |
| Molecular Formula | C11H10ClN3 |
| Molecular Weight | 219.6702 |
| SMILES | ClC1(=NC(=NC(=C1)NC)C2(=CC=CC=C2)) |
| Synonyms | 6-chloro-N-methyl-2-phenyl-4-pyrimidinamine,
6-chloro-N-methyl-2-phenylpyrimidin-4-amine,
1017782-49-8,
chloromethylphenylpyrimidinamine,
CTK6I4795,
KS-000021YD,
MFCD00697490,
SBB095852,
ZINC14007524,
AKOS005071476,
AC-0708,
MCULE-7913449207,
RP12714,
AJ-64641,
(6-chloro-2-phenylpyrimidin-4-yl)methylamine,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.672g/mol |
| Monoisotopic Mass | 219.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number