| CAS Number | 40439-76-7 |
| Catalog Number | AG00CM1O(AGN-PC-0RNE3G) |
| Chemical Name | 2-Pyrimidinamine, 5-chloro-4-methyl- (9CI) |
| IUPAC Name | 5-chloro-4-methylpyrimidin-2-amine |
| InChI | InChI=1S/C5H6ClN3/c1-3-4(6)2-8-5(7)9-3/h2H,1H3,(H2,7,8,9) |
| InChI Key | LCQUAQMCNBQPIE-UHFFFAOYSA-N |
| MDL Number | MFCD16877745 |
| Molecular Formula | C5H6ClN3 |
| Molecular Weight | 143.5742 |
| SMILES | NC1=NC=C(Cl)C(C)=N1 |
| Synonyms | 5-chloro-4-methylpyrimidin-2-amine,
40439-76-7,
2-Pyrimidinamine, 5-chloro-4-methyl- (9CI),
SCHEMBL12743031,
CTK7E1108,
FCH939699,
MFCD16877745,
ZINC39053256,
5-Chloro-4-methyl-pyrimidin-2-amine,
AKOS006361980,
KS-0000053N,
AJ-97625,
AK-47072,
AS-51128,
2-AMINO-5-CHLORO-6-METHYLPYRIMIDINE,
CS-0045818,
|
| Complexity | 98.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.574g/mol |
| Monoisotopic Mass | 143.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
8
|
|
Hazard statements
|
H314
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P305+P351+P338-P310
|
|
UN Code
|
UN 1759
|
Certificate of Analysis
Lot Number