| CAS Number | 885500-42-5 |
| Catalog Number | AG019EVG(AGN-PC-0CAJZ2) |
| Chemical Name | 4,6-Dichloro-N-ethylpyrimidin-5-amine |
| IUPAC Name | 4,6-dichloro-N-ethylpyrimidin-5-amine |
| InChI | InChI=1S/C6H7Cl2N3/c1-2-9-4-5(7)10-3-11-6(4)8/h3,9H,2H2,1H3 |
| InChI Key | LHEMTMXDEZPQPJ-UHFFFAOYSA-N |
| MDL Number | MFCD20662829 |
| Molecular Formula | C6H7Cl2N3 |
| Molecular Weight | 192.0459 |
| SMILES | CCNc1c(Cl)ncnc1Cl |
| Synonyms | 4,6-dichloro-N-ethylpyrimidin-5-amine,
885500-42-5,
5-Pyrimidinamine, 4,6-dichloro-N-ethyl-,
SCHEMBL1001987,
LHEMTMXDEZPQPJ-UHFFFAOYSA-N,
MFCD20662829,
ZINC95097782,
AKOS030629988,
ethyl(4,6-dichloropyrimidin-5-yl)amine,
N-Ethyl-4,6-dichloropyrimidine-5-amine,
CS-0061528,
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| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.043g/mol |
| Monoisotopic Mass | 191.002g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number