6-phenyl-2-piperazin-1-ylpyrimidine-4-carbonitrile

C15H15N5 — CID 921237

IUPAC6-phenyl-2-piperazin-1-ylpyrimidine-4-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nc(N2CCNCC2)n1
InChIInChI=1S/C15H15N5/c16-11-13-10-14(12-4-2-1-3-5-12)19-15(18-13)20-8-6-17-7-9-20/h1-5,10,17H,6-9H2
InChIKeyICYQYOOQTLXFOF-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.42
Rot. Bonds2

About 6-phenyl-2-piperazin-1-ylpyrimidine-4-carbonitrile

6-phenyl-2-piperazin-1-ylpyrimidine-4-carbonitrile (PubChem CID 921237) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-phenyl-2-piperazin-1-ylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-phenyl-2-piperazin-1-ylpyrimidine-4-carbonitrile
PubChem CID921237
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name6-phenyl-2-piperazin-1-ylpyrimidine-4-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)nc(N2CCNCC2)n1
InChIInChI=1S/C15H15N5/c16-11-13-10-14(12-4-2-1-3-5-12)19-15(18-13)20-8-6-17-7-9-20/h1-5,10,17H,6-9H2
InChIKeyICYQYOOQTLXFOF-UHFFFAOYSA-N
XLogP1.42
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-piperazin-1-ylpyrimidine-4-carbonitrile?
The IUPAC name of 6-phenyl-2-piperazin-1-ylpyrimidine-4-carbonitrile (CID 921237) is 6-phenyl-2-piperazin-1-ylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-phenyl-2-piperazin-1-ylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-phenyl-2-piperazin-1-ylpyrimidine-4-carbonitrile is N#Cc1cc(-c2ccccc2)nc(N2CCNCC2)n1.
What is the InChIKey of 6-phenyl-2-piperazin-1-ylpyrimidine-4-carbonitrile?
The InChIKey is ICYQYOOQTLXFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c16-11-13-10-14(12-4-2-1-3-5-12)19-15(18-13)20-8-6-17-7-9-20/h1-5,10,17H,6-9H2.
What are the key properties of 6-phenyl-2-piperazin-1-ylpyrimidine-4-carbonitrile?
6-phenyl-2-piperazin-1-ylpyrimidine-4-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-piperazin-1-ylpyrimidine-4-carbonitrile is sourced from PubChem (CID 921237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).