| CAS Number | 1251025-80-5 |
| Catalog Number | AG01BETN |
| Chemical Name | 6-(3-chlorophenyl)pyrimidine-2,4-diamine |
| IUPAC Name | 6-(3-chlorophenyl)pyrimidine-2,4-diamine |
| InChI | InChI=1S/C10H9ClN4/c11-7-3-1-2-6(4-7)8-5-9(12)15-10(13)14-8/h1-5H,(H4,12,13,14,15) |
| InChI Key | QIHOEPQKNFPIGB-UHFFFAOYSA-N |
| MDL Number | MFCD16103651 |
| Molecular Formula | C10H9ClN4 |
| Molecular Weight | 220.6583 |
| SMILES | NC1=NC(N)=NC(C2=CC(Cl)=CC=C2)=C1 |
| Synonyms | 6-(3-chlorophenyl)pyrimidine-2,4-diamine,
1251025-80-5,
ZINC44263045,
AKOS011056704,
NE43190,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.66g/mol |
| Monoisotopic Mass | 220.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number