Basic information
- CAS
189152-50-9- Standard SMILES
c1ccc(N2CCN(CCC3CCC(Nc4ncccn4)CC3)CC2)cc1- InChIKey
OUUMPVSFLSOGJZ-UHFFFAOYSA-N- Molecular formula
- C22H31N5
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.25794601
Names & identifiers
- Preferred name
- trans-N-(4-(2-(4-Phenyl-1-piperazinyl)ethyl)cyclohexyl)-2-pyrimidinamine
- IUPAC
- N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine
- English name
- 2-Pyrimidinamine, N-[trans-4-[2-(4-phenyl-1-piperazinyl)ethyl]cyclohexyl]-
- Molecular formula
- C22H31N5
- Molecular weight
- 365.52
Names & synonyms
PD 158771189152-50-9PD-158771trans-N-(4-(2-(4-Phenyl-1-piperazinyl)ethyl)cyclohexyl)-2-pyrimidinamineCHEMBL165679CHEMBL3084971N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine2-Pyrimidinamine, N-(4-(2-(4-phenyl-1-piperazinyl)ethyl)cyclohexyl)-, trans-N-{4-[2-(4-Phenylpiperazin-1-yl)ethyl]cyclohexyl}pyrimidin-2-amineorb1739399SCHEMBL8473280SCHEMBL8473283
Show more names
2-Pyrimidinamine, N-[trans-4-[2-(4-phenyl-1-piperazinyl)ethyl]cyclohexyl]-
DTXSID50940427BDBM50063296BDBM50455438L015054
Database identifiers
- CAS
189152-50-9- PubChem CID
- 3075615
- DTXSID
DTXSID50940427- ChEMBL
CHEMBL165679、CHEMBL3084971
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Boiling point
- 542.665 · 542.665±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.127 · 1.127±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.986 · 7.986±0.10(predicted)
Chemistry & industry
Applications
DescriptionPd 158771 is a D2 and 5-HT1A agonist.
UsesPD 158771 is an antipsychotic agent that functions as a partial agonist for D2 /D3 receptors (Ki = 42.0/13.7 nM) and as an agonist for 5-HT1A receptors (Ki = 2.6 nM). PD 158771 can be utilized in antipsychotic research[1].
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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