| CAS Number | 1187385-92-7 |
| Catalog Number | AG003MKS(AGN-PC-07XUFH) |
| Chemical Name | 5-Bromo-2-propylaminopyrimidine |
| IUPAC Name | 5-bromo-N-propylpyrimidin-2-amine |
| InChI | InChI=1S/C7H10BrN3/c1-2-3-9-7-10-4-6(8)5-11-7/h4-5H,2-3H2,1H3,(H,9,10,11) |
| InChI Key | LKPSCRPSLFEGGS-UHFFFAOYSA-N |
| MDL Number | MFCD12546489 |
| Molecular Formula | C7H10BrN3 |
| Molecular Weight | 216.0784 |
| SMILES | CCCNc1ncc(cn1)Br |
| Synonyms | 1187385-92-7,
5-Bromo-N-propylpyrimidin-2-amine,
5-BROMO-2-PROPYLAMINOPYRIMIDINE,
ACMC-2099yy,
SCHEMBL10293545,
CTK4B0841,
DTXSID30675149,
ANW-17192,
MFCD12546489,
ZINC38537690,
2-Pyrimidinamine, 5-bromo-N-propyl-,
AKOS013187678,
AJ-96204,
TR-034259,
Z7972,
A-5279,
I03-764,
C7H10BrN3,
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| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.082g/mol |
| Monoisotopic Mass | 215.006g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number