Basic information
- CAS
67026-18-0- Standard SMILES
OCC1(Nc2nc(N3CC3)nc(N3CC3)n2)COC(c2ccco2)OC1- InChIKey
PNUBYEKZUBFUQS-UHFFFAOYSA-N- Molecular formula
- C16H20N6O4
- Average molar mass
- 360.37 g/mol
- Monoisotopic mass
- 360.15460314
Overview
RN given refers to cpd without isomeric designation; structure given in first source
Names & identifiers
- Preferred name
- Furisyl
- IUPAC
- [5-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol
- English name
- furisyl
- Molecular weight
- 0
Names & synonyms
Furisyl72239-53-3RefChem:9219412-(2-furyl)-5-hydroxymethyl-5-(2,4-diethyleneimino-1,3,5-triazin-6-yl)amino-1,3-dioxane67026-18-0[5-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol[5-{[4,6-Bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino}-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol5-(4,6-Diaziridinyl-2-s-triazinylamino)-2-furyl-m-dioxane-5-methanols-Triazine, 4,6-diaziridinyl-2-(2-furyl-5-hydroxymethyl-m-dioxan-5-ylamino)-1,3-Dioxane-5-methanol, 5-((4,6-bis(1-aziridinyl)-1,3,5-triazin-2-yl)amino)-2-(2-furanyl)-DTXSID80985881m-DIOXANE-5-METHANOL, 2-FURYL-5-(4,6-DIAZIRIDINYL-2-s-TRIAZINYLAMINO)-
Show more names
5-[[4,6-Di(1-aziridinyl)-1,3,5-triazin-2-yl]amino]-2-(2-furyl)-1,3-dioxane-5-methanol
67026-22-6m-Dioxane-5-axial-methanol, 5-equatorial-((4,6-bis(1-aziridinyl)-s-triazin-2-yl)amino)-2-equatorial-(2-furyl)-m-Dioxane-5-equatorial-methanol, 5-axial-((4,6-bis(1-aziridinyl)-s-triazin-2-yl)amino)-2-equatorial-(2-furyl)-
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 477
Experimental & physicochemical properties
LogP0.27
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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