5-[(2S)-2-ethenylpiperazin-1-yl]pyrimidine

C10H14N4 — CID 145108952

IUPAC5-[(2S)-2-ethenylpiperazin-1-yl]pyrimidine
SMILESC=C[C@H]1CNCCN1c1cncnc1
InChIInChI=1S/C10H14N4/c1-2-9-5-11-3-4-14(9)10-6-12-8-13-7-10/h2,6-9,11H,1,3-5H2/t9-/m0/s1
InChIKeyIKGRLTBPKZEHDR-VIFPVBQESA-N
MW190.25 g/mol
LogP0.44
Rot. Bonds2

About 5-[(2S)-2-ethenylpiperazin-1-yl]pyrimidine

5-[(2S)-2-ethenylpiperazin-1-yl]pyrimidine (PubChem CID 145108952) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-[(2S)-2-ethenylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-[(2S)-2-ethenylpiperazin-1-yl]pyrimidine
PubChem CID145108952
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name5-[(2S)-2-ethenylpiperazin-1-yl]pyrimidine
SMILESC=C[C@H]1CNCCN1c1cncnc1
InChIInChI=1S/C10H14N4/c1-2-9-5-11-3-4-14(9)10-6-12-8-13-7-10/h2,6-9,11H,1,3-5H2/t9-/m0/s1
InChIKeyIKGRLTBPKZEHDR-VIFPVBQESA-N
XLogP0.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-fluorophenyl)-2-ethenylpiperazine
CID 11593913
1-(2-bromophenyl)-2-ethenylpiperazine
CID 11587059
5-piperazin-1-ylpyrimidine;hydrochloride
CID 69201469
1-pyrimidin-5-yl-6-(trifluoromethyl)-1,4-diazepane
CID 107589799
5-bromo-4-(2-methylpiperazin-1-yl)pyrimidine
CID 66340193
1-(5-fluoropyrimidin-2-yl)piperazine-2-carbaldehyde
CID 22107040
5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine
CID 89340460
4-methyl-5-(2-methylpiperazin-1-yl)pyrimidine
CID 82669790
1-(3-chlorophenyl)piperazine-2-carbaldehyde
CID 174390432
(2S)-2-methyl-1-pyridin-4-ylpiperazine
CID 94546152
1-(6-iodo-3-pyridinyl)piperazin-2-ol
CID 134406121
5-pyrrolidin-3-ylpyrimidine
CID 66996535

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-ethenylpiperazin-1-yl]pyrimidine?
The IUPAC name of 5-[(2S)-2-ethenylpiperazin-1-yl]pyrimidine (CID 145108952) is 5-[(2S)-2-ethenylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-[(2S)-2-ethenylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 5-[(2S)-2-ethenylpiperazin-1-yl]pyrimidine is C=C[C@H]1CNCCN1c1cncnc1.
What is the InChIKey of 5-[(2S)-2-ethenylpiperazin-1-yl]pyrimidine?
The InChIKey is IKGRLTBPKZEHDR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N4/c1-2-9-5-11-3-4-14(9)10-6-12-8-13-7-10/h2,6-9,11H,1,3-5H2/t9-/m0/s1.
What are the key properties of 5-[(2S)-2-ethenylpiperazin-1-yl]pyrimidine?
5-[(2S)-2-ethenylpiperazin-1-yl]pyrimidine has a molecular weight of 190.25 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-ethenylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 145108952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).