1-[2-(3-trimethylsilylphenyl)sulfanylpyrimidin-5-yl]-1,3-diazinane-2,4-dione

C17H20N4O2SSi — CID 153312432

IUPAC1-[2-(3-trimethylsilylphenyl)sulfanylpyrimidin-5-yl]-1,3-diazinane-2,4-dione
SMILESC[Si](C)(C)c1cccc(Sc2ncc(N3CCC(=O)NC3=O)cn2)c1
InChIInChI=1S/C17H20N4O2SSi/c1-25(2,3)14-6-4-5-13(9-14)24-16-18-10-12(11-19-16)21-8-7-15(22)20-17(21)23/h4-6,9-11H,7-8H2,1-3H3,(H,20,22,23)
InChIKeyURODILJCZHNBIF-UHFFFAOYSA-N
MW372.53 g/mol
LogP2.62
Rot. Bonds4

About 1-[2-(3-trimethylsilylphenyl)sulfanylpyrimidin-5-yl]-1,3-diazinane-2,4-dione

1-[2-(3-trimethylsilylphenyl)sulfanylpyrimidin-5-yl]-1,3-diazinane-2,4-dione (PubChem CID 153312432) has the molecular formula C17H20N4O2SSi and a molecular weight of 372.53 g/mol. Its IUPAC name is 1-[2-(3-trimethylsilylphenyl)sulfanylpyrimidin-5-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-(3-trimethylsilylphenyl)sulfanylpyrimidin-5-yl]-1,3-diazinane-2,4-dione
PubChem CID153312432
Molecular FormulaC17H20N4O2SSi
Molecular Weight372.53 g/mol
Exact Mass372.11
IUPAC Name1-[2-(3-trimethylsilylphenyl)sulfanylpyrimidin-5-yl]-1,3-diazinane-2,4-dione
SMILESC[Si](C)(C)c1cccc(Sc2ncc(N3CCC(=O)NC3=O)cn2)c1
InChIInChI=1S/C17H20N4O2SSi/c1-25(2,3)14-6-4-5-13(9-14)24-16-18-10-12(11-19-16)21-8-7-15(22)20-17(21)23/h4-6,9-11H,7-8H2,1-3H3,(H,20,22,23)
InChIKeyURODILJCZHNBIF-UHFFFAOYSA-N
XLogP2.62
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 52.62
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 1-[2-(3-trimethylsilylphenyl)sulfanylpyrimidin-5-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-(3-trimethylsilylphenyl)sulfanylpyrimidin-5-yl]-1,3-diazinane-2,4-dione (CID 153312432) is 1-[2-(3-trimethylsilylphenyl)sulfanylpyrimidin-5-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-(3-trimethylsilylphenyl)sulfanylpyrimidin-5-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-(3-trimethylsilylphenyl)sulfanylpyrimidin-5-yl]-1,3-diazinane-2,4-dione is C[Si](C)(C)c1cccc(Sc2ncc(N3CCC(=O)NC3=O)cn2)c1.
What is the InChIKey of 1-[2-(3-trimethylsilylphenyl)sulfanylpyrimidin-5-yl]-1,3-diazinane-2,4-dione?
The InChIKey is URODILJCZHNBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2SSi/c1-25(2,3)14-6-4-5-13(9-14)24-16-18-10-12(11-19-16)21-8-7-15(22)20-17(21)23/h4-6,9-11H,7-8H2,1-3H3,(H,20,22,23).
What are the key properties of 1-[2-(3-trimethylsilylphenyl)sulfanylpyrimidin-5-yl]-1,3-diazinane-2,4-dione?
1-[2-(3-trimethylsilylphenyl)sulfanylpyrimidin-5-yl]-1,3-diazinane-2,4-dione has a molecular weight of 372.53 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-trimethylsilylphenyl)sulfanylpyrimidin-5-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 153312432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).