(1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidin-4-yl)-tris(prop-2-enyl)silane

C22H34N4Si — CID 67742919

IUPAC(1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidin-4-yl)-tris(prop-2-enyl)silane
SMILESC=CC[Si](CC=C)(CC=C)C1=NC(N2CCNCC2)N(C#CCCC)C=C1
InChIInChI=1S/C22H34N4Si/c1-5-9-10-14-25-15-11-21(24-22(25)26-16-12-23-13-17-26)27(18-6-2,19-7-3)20-8-4/h6-8,11,15,22-23H,2-5,9,12-13,16-20H2,1H3
InChIKeyLHMKWSLTYWYLRN-UHFFFAOYSA-N
MW382.63 g/mol
LogP3.75
Rot. Bonds9

About (1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidin-4-yl)-tris(prop-2-enyl)silane

(1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidin-4-yl)-tris(prop-2-enyl)silane (PubChem CID 67742919) has the molecular formula C22H34N4Si and a molecular weight of 382.63 g/mol. Its IUPAC name is (1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidin-4-yl)-tris(prop-2-enyl)silane.

Molecular Properties

Compound Name(1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidin-4-yl)-tris(prop-2-enyl)silane
PubChem CID67742919
Molecular FormulaC22H34N4Si
Molecular Weight382.63 g/mol
Exact Mass382.26
IUPAC Name(1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidin-4-yl)-tris(prop-2-enyl)silane
SMILESC=CC[Si](CC=C)(CC=C)C1=NC(N2CCNCC2)N(C#CCCC)C=C1
InChIInChI=1S/C22H34N4Si/c1-5-9-10-14-25-15-11-21(24-22(25)26-16-12-23-13-17-26)27(18-6-2,19-7-3)20-8-4/h6-8,11,15,22-23H,2-5,9,12-13,16-20H2,1H3
InChIKeyLHMKWSLTYWYLRN-UHFFFAOYSA-N
XLogP3.75
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.63
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidin-4-yl)-tris(prop-2-enyl)silane?
The IUPAC name of (1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidin-4-yl)-tris(prop-2-enyl)silane (CID 67742919) is (1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidin-4-yl)-tris(prop-2-enyl)silane.
What is the SMILES notation for (1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidin-4-yl)-tris(prop-2-enyl)silane?
The canonical SMILES for (1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidin-4-yl)-tris(prop-2-enyl)silane is C=CC[Si](CC=C)(CC=C)C1=NC(N2CCNCC2)N(C#CCCC)C=C1.
What is the InChIKey of (1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidin-4-yl)-tris(prop-2-enyl)silane?
The InChIKey is LHMKWSLTYWYLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4Si/c1-5-9-10-14-25-15-11-21(24-22(25)26-16-12-23-13-17-26)27(18-6-2,19-7-3)20-8-4/h6-8,11,15,22-23H,2-5,9,12-13,16-20H2,1H3.
What are the key properties of (1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidin-4-yl)-tris(prop-2-enyl)silane?
(1-pent-1-ynyl-2-piperazin-1-yl-2H-pyrimidin-4-yl)-tris(prop-2-enyl)silane has a molecular weight of 382.63 g/mol, XLogP of 3.75, 9 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-pyrimidin-4-yl)-tris(prop-2-enyl)silane is sourced from PubChem (CID 67742919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).