1-(2-Pyrimidyl)piperazine - CAS 20980-22-7
Catalog: |
BB016512 |
Product Name: |
1-(2-Pyrimidyl)piperazine |
CAS: |
20980-22-7 |
Synonyms: |
2-piperazin-1-ylpyrimidine |
IUPAC Name: | 2-piperazin-1-ylpyrimidine |
Description: | The major metabolite of Tandospirone. |
Molecular Weight: | 164.21 |
Molecular Formula: | C8H12N4 |
Canonical SMILES: | C1CN(CCN1)C2=NC=CC=N2 |
InChI: | InChI=1S/C8H12N4/c1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2 |
InChI Key: | MRBFGEHILMYPTF-UHFFFAOYSA-N |
Boiling Point: | 96-97 °C (0.2 mmHg) |
Melting Point: | 29-36 °C |
Purity: | > 95 % |
Density: | 1.079 g/cm3 |
Appearance: | Colourless liquid |
MDL: | MFCD00040742 |
LogP: | 0.28000 |
GHS Hazard Statement: | H314 (25%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22546895 | 20121101 | Intravenous buspirone for the prevention of postoperative nausea and vomiting | European journal of clinical pharmacology |
22830497 | 20121101 | New cathepsin D inhibitor library utilizing hydroxyethyl isosteres with cyclic tertiary amines | Medicinal chemistry (Shariqah (United Arab Emirates)) |
22896728 | 20121101 | Metabolism, excretion, and pharmacokinetics of ((3,3-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone, a dipeptidyl peptidase inhibitor, in rat, dog and human | Drug metabolism and disposition: the biological fate of chemicals |
22058741 | 20111001 | N-(4-Chloro-phen-yl)-4-(pyrimidin-2-yl)piperazine-1-carboxamide | Acta crystallographica. Section E, Structure reports online |
21546194 | 20110715 | Buspirone, fexofenadine, and omeprazole: quantification of probe drugs and their metabolites in human plasma | Journal of pharmaceutical and biomedical analysis |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.106196400 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.106196400 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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