tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane

C33H44N4OSi — CID 175898859

IUPACtert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane
SMILESCc1nc(N2CCC(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)ccc1N1C=CCNC1
InChIInChI=1S/C33H44N4OSi/c1-27-31(37-22-11-21-34-26-37)16-17-32(35-27)36-23-18-28(19-24-36)20-25-38-39(33(2,3)4,29-12-7-5-8-13-29)30-14-9-6-10-15-30/h5-17,22,28,34H,18-21,23-26H2,1-4H3
InChIKeyODFXNRPLOHSQLF-UHFFFAOYSA-N
MW540.83 g/mol
LogP5.45
Rot. Bonds8

About tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane

tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane (PubChem CID 175898859) has the molecular formula C33H44N4OSi and a molecular weight of 540.83 g/mol. Its IUPAC name is tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane
PubChem CID175898859
Molecular FormulaC33H44N4OSi
Molecular Weight540.83 g/mol
Exact Mass540.33
IUPAC Nametert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane
SMILESCc1nc(N2CCC(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)ccc1N1C=CCNC1
InChIInChI=1S/C33H44N4OSi/c1-27-31(37-22-11-21-34-26-37)16-17-32(35-27)36-23-18-28(19-24-36)20-25-38-39(33(2,3)4,29-12-7-5-8-13-29)30-14-9-6-10-15-30/h5-17,22,28,34H,18-21,23-26H2,1-4H3
InChIKeyODFXNRPLOHSQLF-UHFFFAOYSA-N
XLogP5.45
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.83
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane (CID 175898859) is tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane is Cc1nc(N2CCC(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)ccc1N1C=CCNC1.
What is the InChIKey of tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane?
The InChIKey is ODFXNRPLOHSQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N4OSi/c1-27-31(37-22-11-21-34-26-37)16-17-32(35-27)36-23-18-28(19-24-36)20-25-38-39(33(2,3)4,29-12-7-5-8-13-29)30-14-9-6-10-15-30/h5-17,22,28,34H,18-21,23-26H2,1-4H3.
What are the key properties of tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane?
tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane has a molecular weight of 540.83 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[1-[5-(2,6-dihydro-1H-pyrimidin-3-yl)-6-methyl-2-pyridinyl]piperidin-4-yl]ethoxy]-diphenylsilane is sourced from PubChem (CID 175898859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).