2-{4-[3-(4-Pyrrolidin-1-ylmethyl-phenyl)-cyclobutylmethyl]-piperazin-1-yl}-pyrimidine
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Basic information
- Standard SMILES
c1cnc(N2CCN(CC3CC(c4ccc(CN5CCCC5)cc4)C3)CC2)nc1- InChIKey
QKHIYEZHMJKMEP-UHFFFAOYSA-N- Molecular formula
- C24H33N5
- Average molar mass
- 391.6 g/mol
- Monoisotopic mass
- 391.27359607
Names & identifiers
- Preferred name
- 2-{4-[3-(4-Pyrrolidin-1-ylmethyl-phenyl)-cyclobutylmethyl]-piperazin-1-yl}-pyrimidine
- IUPAC
- 2-[4-[[3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutyl]methyl]piperazin-1-yl]pyrimidine
Names & synonyms
SCHEMBL5787023QKHIYEZHMJKMEP-UHFFFAOYSA-N2-{4-[3-(4-pyrrolidin-1-ylmethyl-phenyl)-cyclobutylmethyl]-piperazin-1-yl}-pyrimidine
Database identifiers
- PubChem CID
- 21934945
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 479
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Related reactions
1 records
Compound notes
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