4-phenyl-5-piperazin-1-ylpyrimidine

C14H16N4 — CID 59511159

IUPAC4-phenyl-5-piperazin-1-ylpyrimidine
SMILESc1ccc(-c2ncncc2N2CCNCC2)cc1
InChIInChI=1S/C14H16N4/c1-2-4-12(5-3-1)14-13(10-16-11-17-14)18-8-6-15-7-9-18/h1-5,10-11,15H,6-9H2
InChIKeyOSYBHWBWIUFZBU-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.55
Rot. Bonds2

About 4-phenyl-5-piperazin-1-ylpyrimidine

4-phenyl-5-piperazin-1-ylpyrimidine (PubChem CID 59511159) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-phenyl-5-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-phenyl-5-piperazin-1-ylpyrimidine
PubChem CID59511159
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name4-phenyl-5-piperazin-1-ylpyrimidine
SMILESc1ccc(-c2ncncc2N2CCNCC2)cc1
InChIInChI=1S/C14H16N4/c1-2-4-12(5-3-1)14-13(10-16-11-17-14)18-8-6-15-7-9-18/h1-5,10-11,15H,6-9H2
InChIKeyOSYBHWBWIUFZBU-UHFFFAOYSA-N
XLogP1.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-piperazin-1-ylpyrimidine?
The IUPAC name of 4-phenyl-5-piperazin-1-ylpyrimidine (CID 59511159) is 4-phenyl-5-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-phenyl-5-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-phenyl-5-piperazin-1-ylpyrimidine is c1ccc(-c2ncncc2N2CCNCC2)cc1.
What is the InChIKey of 4-phenyl-5-piperazin-1-ylpyrimidine?
The InChIKey is OSYBHWBWIUFZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-4-12(5-3-1)14-13(10-16-11-17-14)18-8-6-15-7-9-18/h1-5,10-11,15H,6-9H2.
What are the key properties of 4-phenyl-5-piperazin-1-ylpyrimidine?
4-phenyl-5-piperazin-1-ylpyrimidine has a molecular weight of 240.31 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-piperazin-1-ylpyrimidine is sourced from PubChem (CID 59511159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).