| CAS Number | 63291-55-4 |
| Catalog Number | AG019EZ0(AGN-PC-0OE473) |
| Chemical Name | 4-Chloro-N-methyl-6-(methylsulfanyl)pyrimidin-5-amine |
| IUPAC Name | 4-chloro-N-methyl-6-methylsulfanylpyrimidin-5-amine |
| InChI | InChI=1S/C6H8ClN3S/c1-8-4-5(7)9-3-10-6(4)11-2/h3,8H,1-2H3 |
| InChI Key | IPJCSPUOYKXVFK-UHFFFAOYSA-N |
| MDL Number | MFCD20671648 |
| Molecular Formula | C6H8ClN3S |
| Molecular Weight | 189.6658 |
| SMILES | CSC1=C(NC)C(Cl)=NC=N1 |
| Synonyms | 4-Chloro-N-methyl-6-(methylthio)pyrimidin-5-amine,
63291-55-4,
4-Chloro-N-methyl-6-(methylsulfanyl)pyrimidin-5-amine,
MFCD20671648,
CS-0060032,
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| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.661g/mol |
| Monoisotopic Mass | 189.013g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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