5-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methyl-2-piperazin-1-ylpyrimidine

C16H22N4 — CID 144832591

IUPAC5-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methyl-2-piperazin-1-ylpyrimidine
SMILESC=C/C=C(\C=C)Cc1cnc(N2CCNCC2)nc1C
InChIInChI=1S/C16H22N4/c1-4-6-14(5-2)11-15-12-18-16(19-13(15)3)20-9-7-17-8-10-20/h4-6,12,17H,1-2,7-11H2,3H3/b14-6+
InChIKeyYZZDOSBXQATWPM-MKMNVTDBSA-N
MW270.38 g/mol
LogP2.04
Rot. Bonds5

About 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methyl-2-piperazin-1-ylpyrimidine

5-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methyl-2-piperazin-1-ylpyrimidine (PubChem CID 144832591) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methyl-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name5-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methyl-2-piperazin-1-ylpyrimidine
PubChem CID144832591
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methyl-2-piperazin-1-ylpyrimidine
SMILESC=C/C=C(\C=C)Cc1cnc(N2CCNCC2)nc1C
InChIInChI=1S/C16H22N4/c1-4-6-14(5-2)11-15-12-18-16(19-13(15)3)20-9-7-17-8-10-20/h4-6,12,17H,1-2,7-11H2,3H3/b14-6+
InChIKeyYZZDOSBXQATWPM-MKMNVTDBSA-N
XLogP2.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-4-methyl-2-piperazin-1-ylpyrimidine
CID 103278300
5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 144832574
5-benzyl-4-methyl-2-piperazin-1-ylpyrimidine;hydrochloride
CID 170986684
[2-(azepan-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83186430
[2-(4-ethyl-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol
CID 83184547
5-ethyl-4-methylsulfanyl-2-piperazin-1-ylpyrimidine
CID 155701510
[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methanol
CID 83183922
5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane
CID 145233053
5-[4-[(2E)-2-methylpenta-2,4-dienoxy]-2-piperazin-1-ylpyrimidin-5-yl]sulfanylpyridin-2-amine
CID 163422031
N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine
CID 83185682
4-[5-(chloromethyl)-4-methylpyrimidin-2-yl]morpholine
CID 83184651
2-(4-ethylpiperazin-1-yl)-4-methyl-5-propylpyrimidine
CID 143595254

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methyl-2-piperazin-1-ylpyrimidine?
The IUPAC name of 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methyl-2-piperazin-1-ylpyrimidine (CID 144832591) is 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methyl-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methyl-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methyl-2-piperazin-1-ylpyrimidine is C=C/C=C(\C=C)Cc1cnc(N2CCNCC2)nc1C.
What is the InChIKey of 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methyl-2-piperazin-1-ylpyrimidine?
The InChIKey is YZZDOSBXQATWPM-MKMNVTDBSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-6-14(5-2)11-15-12-18-16(19-13(15)3)20-9-7-17-8-10-20/h4-6,12,17H,1-2,7-11H2,3H3/b14-6+.
What are the key properties of 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methyl-2-piperazin-1-ylpyrimidine?
5-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methyl-2-piperazin-1-ylpyrimidine has a molecular weight of 270.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-4-methyl-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 144832591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).