2-(2-phenylpiperazin-1-yl)pyrimidine

C14H16N4 — CID 54474216

IUPAC2-(2-phenylpiperazin-1-yl)pyrimidine
SMILESc1ccc(C2CNCCN2c2ncccn2)cc1
InChIInChI=1S/C14H16N4/c1-2-5-12(6-3-1)13-11-15-9-10-18(13)14-16-7-4-8-17-14/h1-8,13,15H,9-11H2
InChIKeyXKKJVTIGBLKLEP-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.63
Rot. Bonds2

About 2-(2-phenylpiperazin-1-yl)pyrimidine

2-(2-phenylpiperazin-1-yl)pyrimidine (PubChem CID 54474216) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(2-phenylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(2-phenylpiperazin-1-yl)pyrimidine
PubChem CID54474216
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-(2-phenylpiperazin-1-yl)pyrimidine
SMILESc1ccc(C2CNCCN2c2ncccn2)cc1
InChIInChI=1S/C14H16N4/c1-2-5-12(6-3-1)13-11-15-9-10-18(13)14-16-7-4-8-17-14/h1-8,13,15H,9-11H2
InChIKeyXKKJVTIGBLKLEP-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-(2-phenylpiperazin-1-yl)pyrimidine (CID 54474216) is 2-(2-phenylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-(2-phenylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-(2-phenylpiperazin-1-yl)pyrimidine is c1ccc(C2CNCCN2c2ncccn2)cc1.
What is the InChIKey of 2-(2-phenylpiperazin-1-yl)pyrimidine?
The InChIKey is XKKJVTIGBLKLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-5-12(6-3-1)13-11-15-9-10-18(13)14-16-7-4-8-17-14/h1-8,13,15H,9-11H2.
What are the key properties of 2-(2-phenylpiperazin-1-yl)pyrimidine?
2-(2-phenylpiperazin-1-yl)pyrimidine has a molecular weight of 240.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 54474216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).