1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidine

C13H20N4 — CID 140971835

IUPAC1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidine
SMILESCCCC#CN1C=CC=NC1N1CCNCC1
InChIInChI=1S/C13H20N4/c1-2-3-4-9-16-10-5-6-15-13(16)17-11-7-14-8-12-17/h5-6,10,13-14H,2-3,7-8,11-12H2,1H3
InChIKeyQDYSDBNMXCIPCW-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.84
Rot. Bonds2

About 1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidine

1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidine (PubChem CID 140971835) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidine.

Molecular Properties

Compound Name1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidine
PubChem CID140971835
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidine
SMILESCCCC#CN1C=CC=NC1N1CCNCC1
InChIInChI=1S/C13H20N4/c1-2-3-4-9-16-10-5-6-15-13(16)17-11-7-14-8-12-17/h5-6,10,13-14H,2-3,7-8,11-12H2,1H3
InChIKeyQDYSDBNMXCIPCW-UHFFFAOYSA-N
XLogP0.84
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methylpiperazine;1-(trifluoromethyl)-2H-pyrimidin-2-amine
CID 159476543
2-(1,3-Diazinan-2-yl)-1,2-dihydropyrimidine
CID 5232770
2-piperazin-1-yl-2H-pyrimidine-1-carbonitrile
CID 20455439
2-(4-Methylpiperazin-1-yl)-1,2-dihydropyrimidine
CID 22328744
(1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidin-4-yl)-tris(prop-2-enyl)silane
CID 67742919
(Z)-3-(1-piperazin-1-ylethenylimino)prop-1-en-1-amine
CID 70259653
1-piperazin-2-yl-2H-pyrimidine
CID 140095537
Ethane;2-piperazin-1-yl-1,2-dihydropyrimidine
CID 141777158
2-Piperazin-1-yl-1,2-dihydropyrimidine
CID 141777159
2-N,2-N,6-N,6-N-tetraethyl-2-piperazin-1-yl-1H-pyrimidine-2,6-diamine
CID 142642607
(Z,Z)-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine
CID 143325176
(Z)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]prop-2-en-1-imine
CID 143834893

Frequently Asked Questions

What is the IUPAC name of 1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidine?
The IUPAC name of 1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidine (CID 140971835) is 1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidine.
What is the SMILES notation for 1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidine?
The canonical SMILES for 1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidine is CCCC#CN1C=CC=NC1N1CCNCC1.
What is the InChIKey of 1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidine?
The InChIKey is QDYSDBNMXCIPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-2-3-4-9-16-10-5-6-15-13(16)17-11-7-14-8-12-17/h5-6,10,13-14H,2-3,7-8,11-12H2,1H3.
What are the key properties of 1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidine?
1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidine has a molecular weight of 232.33 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidine is sourced from PubChem (CID 140971835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).