| CAS Number | 860650-01-7 |
| Catalog Number | AG00IWAR(AGN-PC-0WAQJF) |
| Chemical Name | N-cyclohexyl-5-iodo-2,6-dimethyl-4-pyrimidinamine |
| IUPAC Name | N-cyclohexyl-5-iodo-2,6-dimethylpyrimidin-4-amine |
| InChI | InChI=1S/C12H18IN3/c1-8-11(13)12(15-9(2)14-8)16-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,14,15,16) |
| InChI Key | GLGHNYSSULXVQU-UHFFFAOYSA-N |
| MDL Number | MFCD04124341 |
| Molecular Formula | C12H18IN3 |
| Molecular Weight | 331.1959 |
| SMILES | IC1(=C(N=C(C)N=C1C)NC2(CCCCC2)) |
| Synonyms | 860650-01-7,
N-cyclohexyl-5-iodo-2,6-dimethyl-4-pyrimidinamine,
N-cyclohexyl-5-iodo-2,6-dimethylpyrimidin-4-amine,
AC1MCF2G,
KS-00001S8T,
ZINC4050629,
AKOS005079036,
MCULE-4549519099,
SR-01000306900,
11R-0018,
SR-01000306900-1,
ZINC04050629,
CID2768073,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.201g/mol |
| Monoisotopic Mass | 331.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number