Basic information
- CAS
92736-25-9- Standard SMILES
Cc1ccnc(NCCCNc2nccc(C)n2)n1- InChIKey
NHSGPQAIJCYKHJ-UHFFFAOYSA-N- Molecular formula
- C13H18N6
- Average molar mass
- 258.32 g/mol
- Monoisotopic mass
- 258.1592946
Names & identifiers
- Preferred name
- N~1~,N~3~-Bis(4-methylpyrimidin-2-yl)propane-1,3-diamine
- IUPAC
- N,N'-bis(4-methylpyrimidin-2-yl)propane-1,3-diamine
Names & synonyms
92736-25-9NSC338689DTXSID10319039N~1~,N~3~-Bis(4-methylpyrimidin-2-yl)propane-1,3-diamineAKOS016928446NSC-338689Z1232627092
Database identifiers
- CAS
92736-25-9- PubChem CID
- 334265
- DTXSID
DTXSID10319039
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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