2,4-Pyrimidinediamine, 5-[(4-bromo-1-naphthalenyl)methoxy]-
Basic information
- CAS
651359-36-3- Standard SMILES
Nc1ncc(OCc2ccc(Br)c3ccccc23)c(N)n1- InChIKey
HIIAMFVEZURTAK-UHFFFAOYSA-N- Molecular formula
- C15H13BrN4O
- Average molar mass
- 345.19 g/mol
- Monoisotopic mass
- 344.02727
Names & identifiers
- Preferred name
- 2,4-Pyrimidinediamine, 5-[(4-bromo-1-naphthalenyl)methoxy]-
- IUPAC
- 5-[(4-bromonaphthalen-1-yl)methoxy]pyrimidine-2,4-diamine
Names & synonyms
651359-36-32,4-Pyrimidinediamine, 5-[(4-bromo-1-naphthalenyl)methoxy]-5-[(4-bromonaphthalen-1-yl)methoxy]pyrimidine-2,4-diamineDTXSID403336675-(4-Bromo-naphthalen-1-ylmethoxy)-pyrimidine-2,4-diamine5-[(4-bromo-1-naphthyl)methoxy]pyrimidine-2,4-diamine
Database identifiers
- CAS
651359-36-3- PubChem CID
- 516677
- DTXSID
DTXSID40333667
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
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Compound notes
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