2-[(E)-2-phenylethenyl]-4-(4-phenylpiperazin-1-yl)pyrimidine

C22H22N4 — CID 42641419

IUPAC2-[(E)-2-phenylethenyl]-4-(4-phenylpiperazin-1-yl)pyrimidine
SMILESC(=C/c1nccc(N2CCN(c3ccccc3)CC2)n1)\c1ccccc1
InChIInChI=1S/C22H22N4/c1-3-7-19(8-4-1)11-12-21-23-14-13-22(24-21)26-17-15-25(16-18-26)20-9-5-2-6-10-20/h1-14H,15-18H2/b12-11+
InChIKeyKNDKTDFSHHHWAU-VAWYXSNFSA-N
MW342.45 g/mol
LogP3.97
Rot. Bonds4

About 2-[(E)-2-phenylethenyl]-4-(4-phenylpiperazin-1-yl)pyrimidine

2-[(E)-2-phenylethenyl]-4-(4-phenylpiperazin-1-yl)pyrimidine (PubChem CID 42641419) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-4-(4-phenylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-4-(4-phenylpiperazin-1-yl)pyrimidine
PubChem CID42641419
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name2-[(E)-2-phenylethenyl]-4-(4-phenylpiperazin-1-yl)pyrimidine
SMILESC(=C/c1nccc(N2CCN(c3ccccc3)CC2)n1)\c1ccccc1
InChIInChI=1S/C22H22N4/c1-3-7-19(8-4-1)11-12-21-23-14-13-22(24-21)26-17-15-25(16-18-26)20-9-5-2-6-10-20/h1-14H,15-18H2/b12-11+
InChIKeyKNDKTDFSHHHWAU-VAWYXSNFSA-N
XLogP3.97
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-phenylethenyl]-4-piperidin-1-ylpyrimidine
CID 42641303
(3R)-1-[2-[(E)-2-phenylethenyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 42641532
(5E)-5-[[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118339267
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
2-benzyl-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 136521532
N-(3-methyl-2H-pyrrol-5-yl)-2-[(E)-2-phenylethenyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 58571305
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
CID 46219448
6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde
CID 80638888
N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896423
13-[4-[(E)-2-[4,6-bis[(E)-2-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]ethenyl]-1,3,5-triazin-2-yl]ethenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 132506106
N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 112887151
2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-4-(4-phenylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-[(E)-2-phenylethenyl]-4-(4-phenylpiperazin-1-yl)pyrimidine (CID 42641419) is 2-[(E)-2-phenylethenyl]-4-(4-phenylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-4-(4-phenylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-4-(4-phenylpiperazin-1-yl)pyrimidine is C(=C/c1nccc(N2CCN(c3ccccc3)CC2)n1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-4-(4-phenylpiperazin-1-yl)pyrimidine?
The InChIKey is KNDKTDFSHHHWAU-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H22N4/c1-3-7-19(8-4-1)11-12-21-23-14-13-22(24-21)26-17-15-25(16-18-26)20-9-5-2-6-10-20/h1-14H,15-18H2/b12-11+.
What are the key properties of 2-[(E)-2-phenylethenyl]-4-(4-phenylpiperazin-1-yl)pyrimidine?
2-[(E)-2-phenylethenyl]-4-(4-phenylpiperazin-1-yl)pyrimidine has a molecular weight of 342.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-4-(4-phenylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 42641419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).