Basic information
- Standard SMILES
CC1(C)OCC(CNCc2c[nH]c3c(=O)[nH]cnc23)CO1- InChIKey
VIZJZNFHBNKQHO-UHFFFAOYSA-N- Molecular formula
- C14H20N4O3
- Average molar mass
- 292.33 g/mol
- Monoisotopic mass
- 292.15354051
Names & identifiers
- Preferred name
- 7-(((2,2-dimethyl-1,3-dioxan-5-yl)methylamino)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
- IUPAC
- 7-[[(2,2-dimethyl-1,3-dioxan-5-yl)methylamino]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
Names & synonyms
SCHEMBL1415818VIZJZNFHBNKQHO-UHFFFAOYSA-N7-(((2,2-dimethyl-1,3-dioxan-5-yl)methylamino)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
Database identifiers
- PubChem CID
- 136337778
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 416
Related reactions
1 records
Compound notes
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