| CAS Number | 3289-39-2 |
| Catalog Number | AG007ILJ(AGN-PC-0WB3YV) |
| Chemical Name | 6-Chloro-2-(pyrrolidin-1-yl)pyrimidin-4-amine |
| IUPAC Name | 6-chloro-2-pyrrolidin-1-ylpyrimidin-4-amine |
| InChI | InChI=1S/C8H11ClN4/c9-6-5-7(10)12-8(11-6)13-3-1-2-4-13/h5H,1-4H2,(H2,10,11,12) |
| InChI Key | HRPXQWIBWJPBPF-UHFFFAOYSA-N |
| MDL Number | MFCD09864529 |
| Molecular Formula | C8H11ClN4 |
| Molecular Weight | 198.6527 |
| SMILES | C1(N2CCCC2)N=C(Cl)C=C(N)N=1 |
| Synonyms | 6-CHLORO-2-(1-PYRROLIDINYL)-4-PYRIMIDINAMINE,
3289-39-2,
6-Chloro-2-(pyrrolidin-1-yl)pyrimidin-4-amine,
6-chloro-2-pyrrolidin-1-yl-pyrimidin-4-ylamine,
SCHEMBL10143602,
CTK4G9513,
DTXSID00650968,
ZX-CM005967,
FCH836422,
MFCD09864529,
ZINC19092218,
AKOS006283511,
ACM3289392,
AJ-71777,
Y-5859,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.654g/mol |
| Monoisotopic Mass | 198.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number