5-[3-(4-Aminophenoxy)propyl]-6-methylpyrimidine-2,4-diamine
Basic information
- CAS
21779-65-7- Standard SMILES
Cc1nc(N)nc(N)c1CCCOc1ccc(N)cc1- InChIKey
ULWMXIFFVXGNDQ-UHFFFAOYSA-N- Molecular formula
- C14H19N5O
- Average molar mass
- 273.33 g/mol
- Monoisotopic mass
- 273.15896025
Names & identifiers
- Preferred name
- 5-[3-(4-Aminophenoxy)propyl]-6-methylpyrimidine-2,4-diamine
- IUPAC
- 5-[3-(4-aminophenoxy)propyl]-6-methylpyrimidine-2,4-diamine
Names & synonyms
21779-65-75-[3-(4-aminophenoxy)propyl]-6-methylpyrimidine-2,4-diamineNSC211098DTXSID10309091NSC-211098
Database identifiers
- CAS
21779-65-7- PubChem CID
- 308965
- DTXSID
DTXSID10309091
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 283
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Compound notes
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