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Basic information
- Standard SMILES
Cc1nccn1-c1ncc(Br)c(N2CCOCC2C(=O)O)n1- InChIKey
ZUCXOOLSRVTMOT-UHFFFAOYSA-N- Molecular formula
- C13H14BrN5O3
- Average molar mass
- 368.19 g/mol
- Monoisotopic mass
- 367.028
Names & identifiers
- Preferred name
- 4-(5-bromo-2-(2-methyl-1H-imidazol-1-yl)pyrimidin-4-yl)morpholine-3-carboxylic acid
- IUPAC
- 4-[5-bromo-2-(2-methylimidazol-1-yl)pyrimidin-4-yl]morpholine-3-carboxylic acid
Names & synonyms
SCHEMBL12005646ZUCXOOLSRVTMOT-UHFFFAOYSA-N4-(5-bromo-2-(2-methyl-1H-imidazol-1-yl)pyrimidin-4-yl)morpholine-3-carboxylic acid
Database identifiers
- PubChem CID
- 68194875
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Related reactions
2 records
Compound notes
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