1-piperazin-1-yl-2H-pyrimidine

C8H14N4 — CID 67727481

IUPAC1-piperazin-1-yl-2H-pyrimidine
SMILESC1=CN(N2CCNCC2)CN=C1
InChIInChI=1S/C8H14N4/c1-2-10-8-12(5-1)11-6-3-9-4-7-11/h1-2,5,9H,3-4,6-8H2
InChIKeyVTQDUUYAGMIZOZ-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.34
Rot. Bonds1

About 1-piperazin-1-yl-2H-pyrimidine

1-piperazin-1-yl-2H-pyrimidine (PubChem CID 67727481) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-piperazin-1-yl-2H-pyrimidine.

Molecular Properties

Compound Name1-piperazin-1-yl-2H-pyrimidine
PubChem CID67727481
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-piperazin-1-yl-2H-pyrimidine
SMILESC1=CN(N2CCNCC2)CN=C1
InChIInChI=1S/C8H14N4/c1-2-10-8-12(5-1)11-6-3-9-4-7-11/h1-2,5,9H,3-4,6-8H2
InChIKeyVTQDUUYAGMIZOZ-UHFFFAOYSA-N
XLogP-0.34
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2H-pyrimidine?
The IUPAC name of 1-piperazin-1-yl-2H-pyrimidine (CID 67727481) is 1-piperazin-1-yl-2H-pyrimidine.
What is the SMILES notation for 1-piperazin-1-yl-2H-pyrimidine?
The canonical SMILES for 1-piperazin-1-yl-2H-pyrimidine is C1=CN(N2CCNCC2)CN=C1.
What is the InChIKey of 1-piperazin-1-yl-2H-pyrimidine?
The InChIKey is VTQDUUYAGMIZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-10-8-12(5-1)11-6-3-9-4-7-11/h1-2,5,9H,3-4,6-8H2.
What are the key properties of 1-piperazin-1-yl-2H-pyrimidine?
1-piperazin-1-yl-2H-pyrimidine has a molecular weight of 166.23 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2H-pyrimidine is sourced from PubChem (CID 67727481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).