| CAS Number | 1784282-12-7 |
| Catalog Number | AG01EG7O |
| Chemical Name | N4-Isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine hydrochloride |
| IUPAC Name | 4-N-(2-methylpropyl)-2-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine;hydrochloride |
| InChI | InChI=1S/C18H21N5S.ClH/c1-13(2)10-20-16-8-9-19-18(23-16)21-11-15-12-24-17(22-15)14-6-4-3-5-7-14;/h3-9,12-13H,10-11H2,1-2H3,(H2,19,20,21,23);1H |
| InChI Key | INVQHPQJFRKGIO-UHFFFAOYSA-N |
| MDL Number | MFCD28133379 |
| Molecular Formula | C18H22ClN5S |
| Molecular Weight | 375.9188 |
| SMILES | Cl.C(C(C)C)NC1=NC(=NC=C1)NCC=1N=C(SC1)C1=CC=CC=C1 |
| Synonyms | KHS101 hydrochloride,
1784282-12-7,
khs101-hydrochloride,
KHS 101 hydrochloride,
KHS 101 HCl,
KHS-101,
HY-10996A,
AKOS024458400,
CS-0033241,
N4-(2-Methylpropyl)-N2-[(2-phenyl-4-thiazolyl)methyl]-2,4-pyrimidinediamine hydrochloride,
N4-Isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine hydrochloride,
1262770-73-9,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 375.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 375.919g/mol |
| Monoisotopic Mass | 375.128g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 91A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number