2,6-Diamino-4-(3-azaspiro(5.5)undecan-3-yl)-1-hydroxypyrimidin-1-ium chloride--hydrogen chloride (1/1/1)
Basic information
- CAS
83540-22-1- Standard SMILES
Nc1cc([NH+]2CCC3(CCCCC3)CC2)nc(N)[n+]1O.[Cl-].[Cl-]- InChIKey
MDHWHIDAOVODEM-UHFFFAOYSA-N- Molecular formula
- C14H25Cl2N5O
- Average molar mass
- 350.3 g/mol
- Monoisotopic mass
- 349.1436158
Names & identifiers
- Preferred name
- 2,6-Diamino-4-(3-azaspiro(5.5)undecan-3-yl)-1-hydroxypyrimidin-1-ium chloride--hydrogen chloride (1/1/1)
- IUPAC
- 6-(3-azoniaspiro[5.5]undecan-3-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine dichloride
Names & synonyms
83540-22-1DTXSID2010035402,6-Diamino-4-(3-azaspiro(5.5)undecan-3-yl)-1-hydroxypyrimidin-1-ium chloride--hydrogen chloride (1/1/1)RefChem:1060226DTXCID5014304513-Azaspiro(5.5)undecane, 3-(2,6-diamino-4-pyrimidinyl)-, 1'-oxide, dihydrochloride3-(2,6-Diamino-4-pyrimidinyl)-3-azaspiro(5.5)undecane 1'-oxide dihydrochloride
Database identifiers
- CAS
83540-22-1- PubChem CID
- 55039
Properties
Computed structural properties
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 324
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Compound notes
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