1-(6-triphenylsilyloxyhexyl)pyrimidine-2,4-dione

C28H30N2O3Si — CID 11655779

IUPAC1-(6-triphenylsilyloxyhexyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CCCCCCO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C28H30N2O3Si/c31-27-20-22-30(28(32)29-27)21-12-1-2-13-23-33-34(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-11,14-20,22H,1-2,12-13,21,23H2,(H,29,31,32)
InChIKeyZJOGFOJOQLUFHW-UHFFFAOYSA-N
MW470.65 g/mol
LogP2.78
Rot. Bonds11

About 1-(6-triphenylsilyloxyhexyl)pyrimidine-2,4-dione

1-(6-triphenylsilyloxyhexyl)pyrimidine-2,4-dione (PubChem CID 11655779) has the molecular formula C28H30N2O3Si and a molecular weight of 470.65 g/mol. Its IUPAC name is 1-(6-triphenylsilyloxyhexyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(6-triphenylsilyloxyhexyl)pyrimidine-2,4-dione
PubChem CID11655779
Molecular FormulaC28H30N2O3Si
Molecular Weight470.65 g/mol
Exact Mass470.20
IUPAC Name1-(6-triphenylsilyloxyhexyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CCCCCCO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C28H30N2O3Si/c31-27-20-22-30(28(32)29-27)21-12-1-2-13-23-33-34(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-11,14-20,22H,1-2,12-13,21,23H2,(H,29,31,32)
InChIKeyZJOGFOJOQLUFHW-UHFFFAOYSA-N
XLogP2.78
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.65
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[8-[diethoxy(methyl)silyl]octyl]pyrimidine-2,4-dione
CID 169034393
1-[5-(4-aminophenoxy)pentyl]pyrimidine-2,4-dione
CID 71722725
8-(2,4-dioxopyrimidin-1-yl)octyl propanoate
CID 169034530
5-(2,4-dioxopyrimidin-1-yl)pentyl-[5-(2,4-dioxopyrimidin-1-yl)pentyl-hydroxyphosphoryl]oxyphosphinic acid
CID 91326769
2-(2,4-dioxopyrimidin-1-yl)ethyl benzoate
CID 151246005
6-(2,4-dioxopyrimidin-1-yl)hexyl 2-methylprop-2-enoate
CID 170124459
1-[6-(1-phenylethenylsulfanyl)hexyl]pyrimidine-2,4-dione
CID 170124569
4-(2,4-dioxopyrimidin-1-yl)butanoate
CID 6954146
1-butylpyrimidine-2,4-dione;methanol;palladium
CID 178051996
1-[5-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentyl]pyrimidine-2,4-dione
CID 135219931
1-[6-(2,4-dimethylcyclopentyl)oxyhexyl]pyrimidine-2,4-dione
CID 166946423
1-(5-hydroxyhexyl)pyrimidine-2,4-dione
CID 23287951

Frequently Asked Questions

What is the IUPAC name of 1-(6-triphenylsilyloxyhexyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(6-triphenylsilyloxyhexyl)pyrimidine-2,4-dione (CID 11655779) is 1-(6-triphenylsilyloxyhexyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(6-triphenylsilyloxyhexyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(6-triphenylsilyloxyhexyl)pyrimidine-2,4-dione is O=c1ccn(CCCCCCO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 1-(6-triphenylsilyloxyhexyl)pyrimidine-2,4-dione?
The InChIKey is ZJOGFOJOQLUFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3Si/c31-27-20-22-30(28(32)29-27)21-12-1-2-13-23-33-34(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-11,14-20,22H,1-2,12-13,21,23H2,(H,29,31,32).
What are the key properties of 1-(6-triphenylsilyloxyhexyl)pyrimidine-2,4-dione?
1-(6-triphenylsilyloxyhexyl)pyrimidine-2,4-dione has a molecular weight of 470.65 g/mol, XLogP of 2.78, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-triphenylsilyloxyhexyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11655779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).