Basic information
- Standard SMILES
Cl.Cl.Nc1ncc(CN2CC=C(c3ccccc3)CC2)c(N)n1- InChIKey
JSJWBNVUPBDVPO-UHFFFAOYSA-N- Molecular formula
- C16H21Cl2N5
- Average molar mass
- 354.3 g/mol
Names & identifiers
- Preferred name
- 5-(4-phenyl-3,6-dihydro-2H-pyridin-1-ylmethyl)-pyrimidine-2,4-diamine dihydrochloride
- IUPAC
- 5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride
Names & synonyms
SCHEMBL7810107JSJWBNVUPBDVPO-UHFFFAOYSA-N5-(4-phenyl-3,6-dihydro-2H-pyridin-1-ylmethyl)-pyrimidine-2,4-diamine dihydrochloride
Database identifiers
- PubChem CID
- 21473689
Properties
Computed structural properties
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 364
Related reactions
1 records
Compound notes
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