Basic information
- CAS
83540-23-2- Standard SMILES
N=c1nc(N2CCC3(CC2)OCCCO3)cc(N)n1O- InChIKey
HIAMNTIIERYBCJ-UHFFFAOYSA-N- Molecular formula
- C12H19N5O3
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.14878949
Names & identifiers
- Preferred name
- 6-Amino-4-(1,5-dioxa-9-azaspiro(5.5)undecan-9-yl)-2-iminopyrimidin-1(2H)-ol
- IUPAC
- 6-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-3-hydroxy-2-iminopyrimidin-4-amine
Names & synonyms
83540-23-2DTXSID9010035416-Amino-4-(1,5-dioxa-9-azaspiro(5.5)undecan-9-yl)-2-iminopyrimidin-1(2H)-ol6-Amino-4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)-2-iminopyrimidin-1(2H)-olRefChem:1073793DTXCID2014304529-(2,6-Diamino-4-pyrimidinyl)-1,5-dioxa-9-azaspiro(5.5)undecane 1'-oxide1,5-DIOXA-9-AZASPIRO(5.5)UNDECANE, 9-(2,6-DIAMINO-4-PYRIMIDINYL)-, 1'-OXIDE
Database identifiers
- CAS
83540-23-2- PubChem CID
- 55041
- DTXSID
DTXSID901003541- Nikkaji
- J76.222I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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