| CAS Number | 1395786-40-9 |
| Catalog Number | AG01APKX(AGN-PC-0WCNCP) |
| Chemical Name | N2-(4-aminophenyl)-N4,N4,6-trimethylpyrimidine-2,4-diamine |
| IUPAC Name | 2-N-(4-aminophenyl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine |
| InChI | InChI=1S/C13H17N5/c1-9-8-12(18(2)3)17-13(15-9)16-11-6-4-10(14)5-7-11/h4-8H,14H2,1-3H3,(H,15,16,17) |
| InChI Key | LYQRHCXHOCPMFZ-UHFFFAOYSA-N |
| MDL Number | MFCD22587331 |
| Molecular Formula | C13H17N5 |
| Molecular Weight | 243.3076 |
| SMILES | NC1=CC=C(C=C1)NC2=NC(N(C)C)=CC(C)=N2 |
| Synonyms | 1395786-40-9,
N~2~-(4-aminophenyl)-N~4~,N~4~,6-trimethylpyrimidine-2,4-diamine,
N2-(4-aminophenyl)-N4,N4,6-trimethylpyrimidine-2,4-diamine,
ZINC75172755,
AKOS024618760,
MCULE-8484233244,
L-3934,
F1912-0069,
2-N-(4-aminophenyl)-4-N,4-N,6-trimethylpyrimidine-2,4-diamine,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.314g/mol |
| Monoisotopic Mass | 243.148g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number