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

Technical Data

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Computed Properties

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 ℃ (0.2 mmHg)
Melting Point:	29-36 ℃
Purity:	> 95 %
Density:	1.079 g/cm³
Appearance:	Colourless liquid
MDL:	MFCD00040742
LogP:	0.28000

Publication Number	Title	Priority Date
WO-2021123291-A1	Oga inhibitor compounds	20191218
WO-2021108427-A1	Excipient compounds for biopolymer formulations	20191126
WO-2021086077-A1	Isoquinolinone derivative, preparation method therefor, and pharmaceutical composition, comprising same as active ingredient, for prevention or treatment of poly(adp-ribose)polymerase-1 (parp-1)-associated disease	20191030
WO-2021072050-A1	Excipient compounds for protein formulations	20191008
WO-2021039716-A1	Biological tissue staining reagent, biological tissue staining kit and biological tissue staining method	20190830

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

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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

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