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Basic information
- Standard SMILES
Cc1c(C(=O)CCN2CCN(c3ncccn3)CC2)cnn1-c1ncccn1.Cl.Cl- InChIKey
UHCQVBRLGPMEJR-UHFFFAOYSA-N- Molecular formula
- C19H24Cl2N8O
- Average molar mass
- 451.4 g/mol
Names & identifiers
- Preferred name
- 1-[5-Methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-3-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone dihydrochloride
- IUPAC
- 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
Names & synonyms
SCHEMBL6972351UHCQVBRLGPMEJR-UHFFFAOYSA-N1-[5-Methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-3-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone dihydrochloride
Database identifiers
- PubChem CID
- 22097331
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 500
Related reactions
1 records
Compound notes
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