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2- (1-Piperazinyl) pyrimidine

CAT: 0127-BUP19265Size: 1 mLDry Ice: NoHazardous: No
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CAT#:0127-BUP19265Size:1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20980-22-7
Purity
=98%
Smiles
C1CN(CCN1)C1=NC=CC=N1

Chemical Information

1-(2-Pyrimidinyl)piperazine

1-(2-Pyrimidyl)piperazine is a N-arylpiperazine.

CAS Number20980-22-7
PubChem CID88747
IUPAC Name2-piperazin-1-ylpyrimidine
Molecular FormulaC8H12N4
Molecular Weight164.21
XLogP0
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity127
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
InChIKey
MRBFGEHILMYPTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Pyrimidinyl)piperazine
CAS: 20980-22-7
CID: 88747
Formula: C8H12N4
MW: 164.21
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.21
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass164.106196400
Monoisotopic Mass164.106196400
Topological Polar Surface Area41.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity127
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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