Basic information
- CAS
592531-44-7- Standard SMILES
CC(C)CCC(C)CCc1c(N)nc(N)nc1N- InChIKey
YBTQVZDURUBYNC-UHFFFAOYSA-N- Molecular formula
- C13H25N5
- Average molar mass
- 251.37 g/mol
- Monoisotopic mass
- 251.21099582
Names & identifiers
- Preferred name
- 5-(3,6-Dimethylheptyl)pyrimidine-2,4,6-triamine
- IUPAC
- 5-(3,6-dimethylheptyl)pyrimidine-2,4,6-triamine
Names & synonyms
592531-44-75-(3,6-DIMETHYLHEPTYL)PYRIMIDINE-2,4,6-TRIAMINEDTXSID50787192
Database identifiers
- CAS
592531-44-7- PubChem CID
- 71363679
- DTXSID
DTXSID50787192
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…