| CAS Number | 915922-96-2 |
| Catalog Number | AG00GTOE(AGN-PC-0WB3MS) |
| Chemical Name | 4-Chloro-5,6-dimethyl-2-(1-pyrrolidinyl)pyrimidine |
| IUPAC Name | 4-chloro-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine |
| InChI | InChI=1S/C10H14ClN3/c1-7-8(2)12-10(13-9(7)11)14-5-3-4-6-14/h3-6H2,1-2H3 |
| InChI Key | IAQXQKOQYBKGGH-UHFFFAOYSA-N |
| MDL Number | MFCD08059997 |
| Molecular Formula | C10H14ClN3 |
| Molecular Weight | 211.6913 |
| SMILES | N1C(Cl)=C(C)C(=NC=1N1CCCC1)C |
| Synonyms | 915922-96-2,
4-CHLORO-5,6-DIMETHYL-2-PYRROLIDIN-1-YLPYRIMIDINE,
CHEMBRDG-BB 4015983,
4-Chloro-5,6-dimethyl-2-(pyrrolidin-1-yl)pyrimidine,
CTK5H0064,
DTXSID40650902,
MFCD08059997,
ZINC19090432,
AKOS010521500,
AJ-71414,
Y-3540,
4-Chloro-5,6-dimethyl-2-(1-pyrrolidinyl)pyrimidine,
4-Chloro-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine, AldrichCPR,
CHEMBRDG-BB4015983,
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| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.693g/mol |
| Monoisotopic Mass | 211.088g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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