[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-trimethylsilane

C16H22N2SSi — CID 103438769

IUPAC[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-trimethylsilane
SMILESCc1cc(C)nc(SCc2ccc([Si](C)(C)C)cc2)n1
InChIInChI=1S/C16H22N2SSi/c1-12-10-13(2)18-16(17-12)19-11-14-6-8-15(9-7-14)20(3,4)5/h6-10H,11H2,1-5H3
InChIKeyBDGYFMFRBUGFPL-UHFFFAOYSA-N
MW302.52 g/mol
LogP3.93
Rot. Bonds4

About [4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-trimethylsilane

[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-trimethylsilane (PubChem CID 103438769) has the molecular formula C16H22N2SSi and a molecular weight of 302.52 g/mol. Its IUPAC name is [4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-trimethylsilane
PubChem CID103438769
Molecular FormulaC16H22N2SSi
Molecular Weight302.52 g/mol
Exact Mass302.13
IUPAC Name[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-trimethylsilane
SMILESCc1cc(C)nc(SCc2ccc([Si](C)(C)C)cc2)n1
InChIInChI=1S/C16H22N2SSi/c1-12-10-13(2)18-16(17-12)19-11-14-6-8-15(9-7-14)20(3,4)5/h6-10H,11H2,1-5H3
InChIKeyBDGYFMFRBUGFPL-UHFFFAOYSA-N
XLogP3.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.52
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-trimethylsilane (CID 103438769) is [4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-trimethylsilane is Cc1cc(C)nc(SCc2ccc([Si](C)(C)C)cc2)n1.
What is the InChIKey of [4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-trimethylsilane?
The InChIKey is BDGYFMFRBUGFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2SSi/c1-12-10-13(2)18-16(17-12)19-11-14-6-8-15(9-7-14)20(3,4)5/h6-10H,11H2,1-5H3.
What are the key properties of [4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-trimethylsilane?
[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-trimethylsilane has a molecular weight of 302.52 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]-trimethylsilane is sourced from PubChem (CID 103438769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).