2-[6-[diethoxy(methyl)silyl]hexylsulfanyl]-1H-pyrimidin-6-one

C15H28N2O3SSi — CID 169034634

IUPAC2-[6-[diethoxy(methyl)silyl]hexylsulfanyl]-1H-pyrimidin-6-one
SMILESCCO[Si](C)(CCCCCCSc1nccc(=O)[nH]1)OCC
InChIInChI=1S/C15H28N2O3SSi/c1-4-19-22(3,20-5-2)13-9-7-6-8-12-21-15-16-11-10-14(18)17-15/h10-11H,4-9,12-13H2,1-3H3,(H,16,17,18)
InChIKeyIPWPBDWQKFWDNM-UHFFFAOYSA-N
MW344.55 g/mol
LogP3.57
Rot. Bonds12

About 2-[6-[diethoxy(methyl)silyl]hexylsulfanyl]-1H-pyrimidin-6-one

2-[6-[diethoxy(methyl)silyl]hexylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 169034634) has the molecular formula C15H28N2O3SSi and a molecular weight of 344.55 g/mol. Its IUPAC name is 2-[6-[diethoxy(methyl)silyl]hexylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[diethoxy(methyl)silyl]hexylsulfanyl]-1H-pyrimidin-6-one
PubChem CID169034634
Molecular FormulaC15H28N2O3SSi
Molecular Weight344.55 g/mol
Exact Mass344.16
IUPAC Name2-[6-[diethoxy(methyl)silyl]hexylsulfanyl]-1H-pyrimidin-6-one
SMILESCCO[Si](C)(CCCCCCSc1nccc(=O)[nH]1)OCC
InChIInChI=1S/C15H28N2O3SSi/c1-4-19-22(3,20-5-2)13-9-7-6-8-12-21-15-16-11-10-14(18)17-15/h10-11H,4-9,12-13H2,1-3H3,(H,16,17,18)
InChIKeyIPWPBDWQKFWDNM-UHFFFAOYSA-N
XLogP3.57
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[diethoxy(methyl)silyl]hexylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[diethoxy(methyl)silyl]hexylsulfanyl]-1H-pyrimidin-6-one (CID 169034634) is 2-[6-[diethoxy(methyl)silyl]hexylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[diethoxy(methyl)silyl]hexylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[diethoxy(methyl)silyl]hexylsulfanyl]-1H-pyrimidin-6-one is CCO[Si](C)(CCCCCCSc1nccc(=O)[nH]1)OCC.
What is the InChIKey of 2-[6-[diethoxy(methyl)silyl]hexylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is IPWPBDWQKFWDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3SSi/c1-4-19-22(3,20-5-2)13-9-7-6-8-12-21-15-16-11-10-14(18)17-15/h10-11H,4-9,12-13H2,1-3H3,(H,16,17,18).
What are the key properties of 2-[6-[diethoxy(methyl)silyl]hexylsulfanyl]-1H-pyrimidin-6-one?
2-[6-[diethoxy(methyl)silyl]hexylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 344.55 g/mol, XLogP of 3.57, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[diethoxy(methyl)silyl]hexylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 169034634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).