| CAS Number | 941294-44-6 |
| Catalog Number | AG003L5X(AGN-PC-0WD1DX) |
| Chemical Name | 4-Chloro-6-pentylaminopyrimidine |
| IUPAC Name | 6-chloro-N-pentylpyrimidin-4-amine |
| InChI | InChI=1S/C9H14ClN3/c1-2-3-4-5-11-9-6-8(10)12-7-13-9/h6-7H,2-5H2,1H3,(H,11,12,13) |
| InChI Key | RAURQKJGNFOGEM-UHFFFAOYSA-N |
| MDL Number | MFCD09800956 |
| Molecular Formula | C9H14ClN3 |
| Molecular Weight | 199.6806 |
| SMILES | CCCCCNc1cc(Cl)ncn1 |
| Synonyms | 6-Chloro-N-pentylpyrimidin-4-amine,
941294-44-6,
4-Chloro-6-pentylaminopyrimidine,
SCHEMBL5665700,
CTK5H5201,
DTXSID60650005,
4-Chloro-6-(pentylamino)pyrimidine,
ACT06417,
ZX-AT013052,
ANW-40195,
MFCD09800956,
ZINC15021176,
AKOS010530843,
OR11508,
AJ-66881,
BBV-32625187,
AX8251547,
RT-009598,
F1967-4525,
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| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.682g/mol |
| Monoisotopic Mass | 199.088g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number