Basic information
- CAS
83540-28-7- Standard SMILES
C=CCOCC1COC2(CCN(c3cc(N)n(O)c(=N)n3)CC2)O1- InChIKey
YHAPSXCNPRCEGM-UHFFFAOYSA-N- Molecular formula
- C15H23N5O4
- Average molar mass
- 337.37 g/mol
- Monoisotopic mass
- 337.17500423
Names & identifiers
- Preferred name
- 6-Amino-2-imino-4-(2-(((prop-2-en-1-yl)oxy)methyl)-1,4-dioxa-8-azaspiro(4.5)decan-8-yl)pyrimidin-1(2H)-ol
- IUPAC
- 3-hydroxy-2-imino-6-[3-(prop-2-enoxymethyl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-amine
Names & synonyms
83540-28-7DTXSID0010035446-Amino-2-imino-4-(2-(((prop-2-en-1-yl)oxy)methyl)-1,4-dioxa-8-azaspiro(4.5)decan-8-yl)pyrimidin-1(2H)-ol6-Amino-2-imino-4-(2-{[(prop-2-en-1-yl)oxy]methyl}-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-1(2H)-olRefChem:1073779DTXCID3014304551,4-Dioxa-8-azaspiro(4.5)decane, 2-(allyloxymethyl)-8-(2,6-diamino-4-pyrimidinyl)-, 1-oxide2-(Allyloxymethyl)-8-(2,6-diamino-4-pyrimidinyl)-1,4-dioxa-8-azaspiro(4.5)decane 1'-oxideZINC02021673
Database identifiers
- CAS
83540-28-7- PubChem CID
- 55044
- DTXSID
DTXSID001003544- Nikkaji
- J76.219I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 568
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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