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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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).