| CAS Number | 3549-05-1 |
| Catalog Number | AG00C8MJ(AGN-PC-0WB413) |
| Chemical Name | 6-chloro-2-(4-morpholinyl)-4-pyrimidinamine |
| IUPAC Name | 6-chloro-2-morpholin-4-ylpyrimidin-4-amine |
| InChI | InChI=1S/C8H11ClN4O/c9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12) |
| InChI Key | CAPWCRRKZOKFTE-UHFFFAOYSA-N |
| MDL Number | MFCD09864565 |
| Molecular Formula | C8H11ClN4O |
| Molecular Weight | 214.6521 |
| SMILES | ClC1=CC(=NC(=N1)N1CCOCC1)N |
| Synonyms | 3549-05-1,
6-CHLORO-2-(4-MORPHOLINYL)-4-PYRIMIDINAMINE,
6-Chloro-2-morpholinopyrimidin-4-amine,
4-amino-6-chloro-2-morpholinopyrimidine,
6-Chloro-2-(morpholin-4-yl)pyrimidin-4-amine,
SCHEMBL244109,
CTK4H4651,
DTXSID00608747,
CAPWCRRKZOKFTE-UHFFFAOYSA-N,
ZX-CM006241,
FCH932973,
MFCD09864565,
ZINC19092643,
AKOS006339869,
AJ-71869,
Y-5881,
6-CHLORO-2- -4-PYRIMIDINAMINE,
6-chloro-2-morpholin-4-yl-pyrimidin-4-ylamine,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.653g/mol |
| Monoisotopic Mass | 214.062g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number