Uracil, 5-bromo-3-(3-hydroxy-1-methylpropyl)-6-methyl-
Basic information
- CAS
22663-47-4- Standard SMILES
Cc1[nH]c(=O)n(C(C)CCO)c(=O)c1Br- InChIKey
SEFCAGUYRYOPQP-UHFFFAOYSA-N- Molecular formula
- C9H13BrN2O3
- Average molar mass
- 277.11 g/mol
- Monoisotopic mass
- 276.01095
Names & identifiers
- Preferred name
- Uracil, 5-bromo-3-(3-hydroxy-1-methylpropyl)-6-methyl-
- IUPAC
- 5-bromo-3-(4-hydroxybutan-2-yl)-6-methyl-1H-pyrimidine-2,4-dione
Names & synonyms
22663-47-4Uracil, 5-bromo-3-(3-hydroxy-1-methylpropyl)-6-methyl-DTXSID909453305-Bromo-2-hydroxy-3-(4-hydroxybutan-2-yl)-6-methylpyrimidin-4(3H)-one
Database identifiers
- CAS
22663-47-4- PubChem CID
- 190243
- DTXSID
DTXSID90945330
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 327
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