| CAS Number | 425425-25-8 |
| Catalog Number | AG01FLWG(AGN-PC-3H5M1H) |
| Chemical Name | 2-chloro-4-methyl-6-(pyrrolidin-1-yl)pyrimidine |
| IUPAC Name | 2-chloro-4-methyl-6-pyrrolidin-1-ylpyrimidine |
| InChI | InChI=1S/C9H12ClN3/c1-7-6-8(12-9(10)11-7)13-4-2-3-5-13/h6H,2-5H2,1H3 |
| InChI Key | AEDLMXNXPIFFTO-UHFFFAOYSA-N |
| MDL Number | MFCD07395400 |
| Molecular Formula | C9H12ClN3 |
| Molecular Weight | 197.6647 |
| SMILES | CC1C=C(N=C(Cl)N=1)N2CCCC2 |
| Synonyms | 2-Chloro-4-methyl-6-pyrrolidin-1-yl-pyrimidine,
AC1O5ZH1,
Pyrimidine, 2-chloro-4-methyl-6-(1-pyrrolidinyl)-,
SCHEMBL3405363,
AEDLMXNXPIFFTO-UHFFFAOYSA-N,
ZINC5051345,
AKOS000792366,
425425-25-8,
ASN 12490295,
2-chloro-4-methyl-6-pyrrolidin-1-ylpyrimidine,
2-chloro-4-methyl-6-(pyrrolidin-1-yl)pyrimidine,
F9994-8321,
ZINC05051345,
CID6492141,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number