| CAS Number | 945895-76-1 |
| Catalog Number | AG01A17M |
| Chemical Name | 2-chloro-N-[(4-methylphenyl)methyl]pyrimidin-4-amine |
| IUPAC Name | 2-chloro-N-[(4-methylphenyl)methyl]pyrimidin-4-amine |
| InChI | InChI=1S/C12H12ClN3/c1-9-2-4-10(5-3-9)8-15-11-6-7-14-12(13)16-11/h2-7H,8H2,1H3,(H,14,15,16) |
| InChI Key | ISLIIYMZSIFWKY-UHFFFAOYSA-N |
| MDL Number | MFCD09756914 |
| Molecular Formula | C12H12ClN3 |
| Molecular Weight | 233.6968 |
| SMILES | CC1=CC=C(CNC2=NC(Cl)=NC=C2)C=C1 |
| Synonyms | 2-chloro-N-[(4-methylphenyl)methyl]pyrimidin-4-amine,
945895-76-1,
2-chloro-N-(4-methylbenzyl)pyrimidin-4-amine,
ZINC12739690,
AKOS009035492,
MCULE-2457144364,
NE61064,
Z107741372,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.699g/mol |
| Monoisotopic Mass | 233.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number