| CAS Number | 53461-40-8 |
| Catalog Number | AG00DCXH(AGN-PC-01LRIK) |
| Chemical Name | 4-Chloro-6-methyl-2-(pyrrolidin-1-yl)pyrimidine |
| IUPAC Name | 4-chloro-6-methyl-2-pyrrolidin-1-ylpyrimidine |
| InChI | InChI=1S/C9H12ClN3/c1-7-6-8(10)12-9(11-7)13-4-2-3-5-13/h6H,2-5H2,1H3 |
| InChI Key | MKWZTGQAQGJTNI-UHFFFAOYSA-N |
| MDL Number | MFCD08361623 |
| Molecular Formula | C9H12ClN3 |
| Molecular Weight | 197.6647 |
| SMILES | CC1=CC(Cl)=NC(N2CCCC2)=N1 |
| Synonyms | 53461-40-8,
4-Chloro-6-methyl-2-(1-pyrrolidinyl)pyrimidine,
4-CHLORO-6-METHYL-2-(PYRROLIDIN-1-YL)PYRIMIDINE,
4-chloro-6-methyl-2-pyrrolidin-1-ylpyrimidine,
EC-000.1388,
SCHEMBL3410110,
CTK4J8101,
DTXSID40590738,
MKWZTGQAQGJTNI-UHFFFAOYSA-N,
MFCD08361623,
ZINC19089810,
AKOS009154531,
AJ-71275,
HC210463,
Y-3795,
4-chloro-6-methyl-2-pyrrolidin-1-yl-pyrimidine,
F9994-8322,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.666g/mol |
| Monoisotopic Mass | 197.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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