AC1MINEH
2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one;trihydrochloride
Also Known As: C17H20N6OS.3ClH.1/2H2O|C17-H20-N6-O-S.3Cl-H.1/2H2-O|4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(2-pyridinylmethyl)-, trihydrochloride, hemihydrate|2-[(2-{[(5-Methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]-5-[(pyridin-2-yl)methyl]pyrimidin-4(3H)-one--hydrogen chloride (1/3)|2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one trihydrochloride
| Molecular Formula | C17H23Cl3N6OS |
|---|---|
| Molecular Weight | 464.07196 g/mol |
| LogP | 3.39792 |
| Topological Polar Surface Area | 99.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.07196 |
| Monoisotopic Mass | 464.07196 |
| Heavy Atoms | 28 |
| Complexity | 874.5842 |
Chemical Identifiers
| CAS Number | 64107-50-2 |
|---|---|
| SMILES | CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=CC=N3.Cl.Cl.Cl |
Product Overview
AC1MINEH (CAS 64107-50-2), with molecular formula C17H23Cl3N6OS and molecular weight 464.07196 g/mol. IUPAC: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(pyridin-2-ylmethyl)-1H-pyrimidin-6-one;trihydrochloride.
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