2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine

C23H32N6 — CID 112888421

IUPAC2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
SMILESCCN1CCN(c2nccc(N3CCN(C/C=C/c4ccccc4)CC3)n2)CC1
InChIInChI=1S/C23H32N6/c1-2-26-13-19-29(20-14-26)23-24-11-10-22(25-23)28-17-15-27(16-18-28)12-6-9-21-7-4-3-5-8-21/h3-11H,2,12-20H2,1H3/b9-6+
InChIKeyFZCGBOHOVHYGTR-RMKNXTFCSA-N
MW392.55 g/mol
LogP2.45
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine

2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine (PubChem CID 112888421) has the molecular formula C23H32N6 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
PubChem CID112888421
Molecular FormulaC23H32N6
Molecular Weight392.55 g/mol
Exact Mass392.27
IUPAC Name2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
SMILESCCN1CCN(c2nccc(N3CCN(C/C=C/c4ccccc4)CC3)n2)CC1
InChIInChI=1S/C23H32N6/c1-2-26-13-19-29(20-14-26)23-24-11-10-22(25-23)28-17-15-27(16-18-28)12-6-9-21-7-4-3-5-8-21/h3-11H,2,12-20H2,1H3/b9-6+
InChIKeyFZCGBOHOVHYGTR-RMKNXTFCSA-N
XLogP2.45
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine with MolForge

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Related Compounds

N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112890827
4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888374
1-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112888441
N-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112898562
2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885063
N-(2-methoxyethyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112885899
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295386
4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 112888435
N-pentyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310482
N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112884982
morpholin-4-yl-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109300569
2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 51308937

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine (CID 112888421) is 2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine is CCN1CCN(c2nccc(N3CCN(C/C=C/c4ccccc4)CC3)n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine?
The InChIKey is FZCGBOHOVHYGTR-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H32N6/c1-2-26-13-19-29(20-14-26)23-24-11-10-22(25-23)28-17-15-27(16-18-28)12-6-9-21-7-4-3-5-8-21/h3-11H,2,12-20H2,1H3/b9-6+.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine?
2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine has a molecular weight of 392.55 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 112888421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).