2-(4-Pyrazin-2-ylpiperazin-1-yl)pyrimidine
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Basic information
- CAS
137448-39-6- Standard SMILES
c1cnc(N2CCN(c3cnccn3)CC2)nc1- InChIKey
ZHRRMTBJVSOJRB-UHFFFAOYSA-N- Molecular formula
- C12H14N6
- Average molar mass
- 242.28 g/mol
Names & identifiers
- Preferred name
- 2-(4-Pyrazin-2-ylpiperazin-1-yl)pyrimidine
- IUPAC
- 2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
- English name
- Pyrimidine, 2-[4-(2-pyrazinyl)-1-piperazinyl]-
- Molecular formula
- C12H14N6
- Molecular weight
- 242.28
Names & synonyms
137448-39-62-(4-(Pyrazin-2-yl)piperazin-1-yl)pyrimidineHIV-1 inhibitor-472-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine1-(Pyrazine-2-yl)-4-(pyrimidine-2-yl)piperazineMLS001004136orb1689675SCHEMBL5596781CHEMBL1900570HMS2705F08EX-A6283MFCD06371724
Show more names
Pyrimidine, 2-[4-(2-pyrazinyl)-1-piperazinyl]-
WAY-638944AS-85642DA-64180SMR000377840HY-148042CS-0597506F76463T60342
Database identifiers
- CAS
137448-39-6- ChEMBL
CHEMBL1900570- Nikkaji
- J2.624.349A
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 105.5 · 105.5-106 °C
- Boiling point
- 467.1 · 467.1±55.0 °C(Predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Predicted)
- pka
- 4.87 · 4.87±0.33(Predicted)
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
UsesHIV-1 inhibitor-47 is an inhibitor of HIV-1, and inhibits vif-dependent degradation of human APOBEC3G, with an IC50 value of 14.33 μM. HIV-1 inhibitor-47 also involves in derivatives of 1-(2-pyrimidinyl)piperazine synthesis, with potential antianxiety, antidepressant, and antipsychotic effect[1][2][3].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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