Basic information
- Standard SMILES
Cc1nc(-c2ccccc2)nc(-c2cccc([N+](=O)[O-])c2)c1CN1CCNCC1.Cl.Cl- InChIKey
PTGFABTZRSMHTI-UHFFFAOYSA-N- Molecular formula
- C22H25Cl2N5O2
- Average molar mass
- 462.4 g/mol
Names & identifiers
- Preferred name
- 6-Methyl-5-(1-piperazinylmethyl)-4-(3-nitrophenyl)-2-phenylpyrimidine dihydrochloride
- IUPAC
- 4-methyl-6-(3-nitrophenyl)-2-phenyl-5-(piperazin-1-ylmethyl)pyrimidine;dihydrochloride
Names & synonyms
SCHEMBL10377711PTGFABTZRSMHTI-UHFFFAOYSA-N6-methyl-5-(1-piperazinylmethyl)-4-(3-nitrophenyl)-2-phenylpyrimidine dihydrochloride
Database identifiers
- PubChem CID
- 20151390
Properties
Computed structural properties
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 530
Related reactions
1 records
Compound notes
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