[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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Benzyl-2-(1-phenylethylsulfanyl)pyrimidin-4-amine
CID 44816741
6-Benzyl-2-(o-tolylmethylsulfanyl)pyrimidin-4-amine
CID 46861690
6-Benzyl-2-(m-tolylmethylsulfanyl)pyrimidin-4-amine
CID 46861691
6-Benzyl-2-phenethylsulfanyl-pyrimidin-4-amine
CID 46889064
2-(4-Chloro-benzylsulfanyl)-4,6-dimethyl-pyrimidine
CID 685828
4,6-Dimethyl-2-(phenylthio)pyrimidine
CID 723503
6-Benzyl-2-[(4-tert-butylbenzyl)sulfanyl]pyrimidin-4-amine
CID 46889012
6-Benzyl-2-(benzylsulfanyl)pyrimidin-4-amine
CID 46889062
6-Benzyl-2-(3-phenylpropylsulfanyl)pyrimidin-4-amine
CID 46889090
2-[(4-Bromobenzyl)sulfanyl]-4,6-dimethylpyrimidine
CID 685202
2-[(4-Fluorobenzyl)sulfanyl]-4,6-dimethylpyrimidine
CID 823852
2-(Benzylsulfanyl)-4-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidine
CID 967742

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).