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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(CBr)cn1- InChIKey
IJVHEEWVQYQBBN-UHFFFAOYSA-N- Molecular formula
- C15H22BrN3O4
- Average molar mass
- 388.26 g/mol
- Monoisotopic mass
- 387.07937
Names & identifiers
- Preferred name
- N,N-Di-Boc-5-(bromomethyl)pyrimidin-2-amine
- IUPAC
- tert-butyl N-[5-(bromomethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Names & synonyms
SCHEMBL6059163IJVHEEWVQYQBBN-UHFFFAOYSA-N305329-64-0SY477994N,N-Di-Boc-5-(bromomethyl)pyrimidin-2-amine5-bromomethyl-2-[N,N-bis(tert-butoxycarbonyl)amino]-pyrimidin
Database identifiers
- PubChem CID
- 22036062
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
Related reactions
4 records
Compound notes
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