5-piperazin-1-ylpyrimidine

C8H12N4 — CID 11041042

IUPAC5-piperazin-1-ylpyrimidine
SMILESc1ncc(N2CCNCC2)cn1
InChIInChI=1S/C8H12N4/c1-3-12(4-2-9-1)8-5-10-7-11-6-8/h5-7,9H,1-4H2
InChIKeyFECWNGIPDUINQE-UHFFFAOYSA-N
MW164.21 g/mol
LogP-0.11
Rot. Bonds1

About 5-piperazin-1-ylpyrimidine

5-piperazin-1-ylpyrimidine (PubChem CID 11041042) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name5-piperazin-1-ylpyrimidine
PubChem CID11041042
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name5-piperazin-1-ylpyrimidine
SMILESc1ncc(N2CCNCC2)cn1
InChIInChI=1S/C8H12N4/c1-3-12(4-2-9-1)8-5-10-7-11-6-8/h5-7,9H,1-4H2
InChIKeyFECWNGIPDUINQE-UHFFFAOYSA-N
XLogP-0.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-ylpyrimidine?
The IUPAC name of 5-piperazin-1-ylpyrimidine (CID 11041042) is 5-piperazin-1-ylpyrimidine.
What is the SMILES notation for 5-piperazin-1-ylpyrimidine?
The canonical SMILES for 5-piperazin-1-ylpyrimidine is c1ncc(N2CCNCC2)cn1.
What is the InChIKey of 5-piperazin-1-ylpyrimidine?
The InChIKey is FECWNGIPDUINQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-3-12(4-2-9-1)8-5-10-7-11-6-8/h5-7,9H,1-4H2.
What are the key properties of 5-piperazin-1-ylpyrimidine?
5-piperazin-1-ylpyrimidine has a molecular weight of 164.21 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-ylpyrimidine is sourced from PubChem (CID 11041042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).