| CAS Number | 1158247-58-5 |
| Catalog Number | AG008VGD(AGN-PC-0WB6PJ) |
| Chemical Name | 2-Amino-6-(4-aminopiperidin-1-yl)pyrimidin-4(3h)-one dihydrochloride |
| IUPAC Name | 2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one |
| InChI | InChI=1S/C9H15N5O/c10-6-1-3-14(4-2-6)7-5-8(15)13-9(11)12-7/h5-6H,1-4,10H2,(H3,11,12,13,15) |
| InChI Key | VPCLCSUKHHOXBJ-UHFFFAOYSA-N |
| MDL Number | MFCD13248670 |
| Molecular Formula | C9H17Cl2N5O |
| Molecular Weight | 282.1702 |
| SMILES | N1=C(N)NC(C=C1N1CCC(CC1)N)=O.Cl.Cl |
| Synonyms | 2-amino-6-(4-aminopiperidin-1-yl)pyrimidin-4(3H)-one,
1158247-58-5,
ALBB-012302,
ZX-AN011104,
ZX-CM011537,
STL089983,
ZINC40457265,
AKOS005173708,
MCULE-7308869842,
AJ-103343,
Y-7506,
2-amino-6-(4-amino-1-piperidinyl)-4(3H)-pyrimidinone,
4(3H)-pyrimidinone, 2-amino-6-(4-amino-1-piperidinyl)-, dihydrochloride,
2-AMINO-6-(4-AMINOPIPERIDIN-1-YL)PYRIMIDIN-4(3H)-ONE DIHYDROCHLORIDE,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.253g/mol |
| Monoisotopic Mass | 209.128g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 96.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number