| CAS Number | 1158775-43-9 |
| Catalog Number | AG008VMY(AGN-PC-0WB6HK) |
| Chemical Name | 2-Amino-6-piperazin-1-ylpyrimidin-4(3h)-one dihydrochloride |
| IUPAC Name | 2-amino-4-piperazin-1-yl-1H-pyrimidin-6-one |
| InChI | InChI=1S/C8H13N5O/c9-8-11-6(5-7(14)12-8)13-3-1-10-2-4-13/h5,10H,1-4H2,(H3,9,11,12,14) |
| InChI Key | NYEWZEPPLCRLNF-UHFFFAOYSA-N |
| MDL Number | MFCD13248669 |
| Molecular Formula | C8H15Cl2N5O |
| Molecular Weight | 268.1436 |
| SMILES | N1=C(N)NC(C=C1N1CCNCC1)=O.Cl.Cl |
| Synonyms | 1158775-43-9,
2-Amino-6-(piperazin-1-yl)pyrimidin-4(3H)-one,
2-AMINO-6-PIPERAZIN-1-YLPYRIMIDIN-4(3H)-ONE DIHYDROCHLORIDE,
ALBB-012301,
ZX-AN011103,
ZX-CM012882,
FCH924640,
ZINC40457264,
AKOS005173707,
MCULE-5343351712,
AJ-103342,
FT-0683128,
2-amino-6-piperazin-1-ylpyrimidin-4(3H)-one,
Y-7501,
2-amino-6-(1-piperazinyl)-4(3H)-pyrimidinone(SALTDATA,
4(3H)-pyrimidinone, 2-amino-6-(1-piperazinyl)-, dihydrochloride,
2-amino-6-(1-piperazinyl)-4(3H)-pyrimidinone,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.226g/mol |
| Monoisotopic Mass | 195.112g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 82.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number