1-[3-[2-[dimethyl(propan-2-yl)silyl]ethylsulfanyl]propyl]-5-fluoropyrimidine-2,4-dione

C14H25FN2O2SSi — CID 10359442

IUPAC1-[3-[2-[dimethyl(propan-2-yl)silyl]ethylsulfanyl]propyl]-5-fluoropyrimidine-2,4-dione
SMILESCC(C)[Si](C)(C)CCSCCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C14H25FN2O2SSi/c1-11(2)21(3,4)9-8-20-7-5-6-17-10-12(15)13(18)16-14(17)19/h10-11H,5-9H2,1-4H3,(H,16,18,19)
InChIKeyRGHHPZITGZJMJG-UHFFFAOYSA-N
MW332.52 g/mol
LogP2.92
Rot. Bonds8

About 1-[3-[2-[dimethyl(propan-2-yl)silyl]ethylsulfanyl]propyl]-5-fluoropyrimidine-2,4-dione

1-[3-[2-[dimethyl(propan-2-yl)silyl]ethylsulfanyl]propyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 10359442) has the molecular formula C14H25FN2O2SSi and a molecular weight of 332.52 g/mol. Its IUPAC name is 1-[3-[2-[dimethyl(propan-2-yl)silyl]ethylsulfanyl]propyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[2-[dimethyl(propan-2-yl)silyl]ethylsulfanyl]propyl]-5-fluoropyrimidine-2,4-dione
PubChem CID10359442
Molecular FormulaC14H25FN2O2SSi
Molecular Weight332.52 g/mol
Exact Mass332.14
IUPAC Name1-[3-[2-[dimethyl(propan-2-yl)silyl]ethylsulfanyl]propyl]-5-fluoropyrimidine-2,4-dione
SMILESCC(C)[Si](C)(C)CCSCCCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C14H25FN2O2SSi/c1-11(2)21(3,4)9-8-20-7-5-6-17-10-12(15)13(18)16-14(17)19/h10-11H,5-9H2,1-4H3,(H,16,18,19)
InChIKeyRGHHPZITGZJMJG-UHFFFAOYSA-N
XLogP2.92
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.52
LogP ≤ 52.92
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'}

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Related Compounds

4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanethioamide
CID 63559003
1-[4-(tert-butylamino)butyl]-5-fluoropyrimidine-2,4-dione
CID 55220321
5-fluoro-1-(3-trimethylsilylpropoxymethyl)pyrimidine-2,4-dione
CID 14515753
1-(3,3-diethoxypropyl)-5-fluoropyrimidine-2,4-dione
CID 63629471
ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate
CID 14551426
3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propoxymethyl acetate
CID 70558578
1-[3-[5-di(propan-2-yloxy)phosphoryl-5,5-difluoropentyl]sulfanylpropyl]-5-methylpyrimidine-2,4-dione
CID 57343380
5-fluoro-1-(2-methylsulfanylethoxymethyl)pyrimidine-2,4-dione
CID 13076168
[1,1-difluoro-5-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)propylsulfanyl]pentyl]phosphonic acid
CID 57343540
1-(3-aminopropyl)-5-ethylpyrimidine-2,4-dione
CID 66328161
1-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-5-fluoropyrimidine-2,4-dione
CID 63556604
5-fluoro-1-methoxypyrimidine-2,4-dione
CID 164899020

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[dimethyl(propan-2-yl)silyl]ethylsulfanyl]propyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[3-[2-[dimethyl(propan-2-yl)silyl]ethylsulfanyl]propyl]-5-fluoropyrimidine-2,4-dione (CID 10359442) is 1-[3-[2-[dimethyl(propan-2-yl)silyl]ethylsulfanyl]propyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[2-[dimethyl(propan-2-yl)silyl]ethylsulfanyl]propyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[2-[dimethyl(propan-2-yl)silyl]ethylsulfanyl]propyl]-5-fluoropyrimidine-2,4-dione is CC(C)[Si](C)(C)CCSCCCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[3-[2-[dimethyl(propan-2-yl)silyl]ethylsulfanyl]propyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is RGHHPZITGZJMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O2SSi/c1-11(2)21(3,4)9-8-20-7-5-6-17-10-12(15)13(18)16-14(17)19/h10-11H,5-9H2,1-4H3,(H,16,18,19).
What are the key properties of 1-[3-[2-[dimethyl(propan-2-yl)silyl]ethylsulfanyl]propyl]-5-fluoropyrimidine-2,4-dione?
1-[3-[2-[dimethyl(propan-2-yl)silyl]ethylsulfanyl]propyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 332.52 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[dimethyl(propan-2-yl)silyl]ethylsulfanyl]propyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 10359442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).