4-propyl-2-[tris(trimethylsilyl)methylselanylsulfanyl]-1H-pyrimidin-6-one

C17H36N2OSSeSi3 — CID 136727770

IUPAC4-propyl-2-[tris(trimethylsilyl)methylselanylsulfanyl]-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(S[Se]C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)n1
InChIInChI=1S/C17H36N2OSSeSi3/c1-11-12-14-13-15(20)19-16(18-14)21-22-17(23(2,3)4,24(5,6)7)25(8,9)10/h13H,11-12H2,1-10H3,(H,18,19,20)
InChIKeyOXAOOZZHWUGCOQ-UHFFFAOYSA-N
MW479.77 g/mol
LogP5.22
Rot. Bonds8

About 4-propyl-2-[tris(trimethylsilyl)methylselanylsulfanyl]-1H-pyrimidin-6-one

4-propyl-2-[tris(trimethylsilyl)methylselanylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 136727770) has the molecular formula C17H36N2OSSeSi3 and a molecular weight of 479.77 g/mol. Its IUPAC name is 4-propyl-2-[tris(trimethylsilyl)methylselanylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-propyl-2-[tris(trimethylsilyl)methylselanylsulfanyl]-1H-pyrimidin-6-one
PubChem CID136727770
Molecular FormulaC17H36N2OSSeSi3
Molecular Weight479.77 g/mol
Exact Mass480.10
IUPAC Name4-propyl-2-[tris(trimethylsilyl)methylselanylsulfanyl]-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(S[Se]C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)n1
InChIInChI=1S/C17H36N2OSSeSi3/c1-11-12-14-13-15(20)19-16(18-14)21-22-17(23(2,3)4,24(5,6)7)25(8,9)10/h13H,11-12H2,1-10H3,(H,18,19,20)
InChIKeyOXAOOZZHWUGCOQ-UHFFFAOYSA-N
XLogP5.22
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.77
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-propyl-2-[tris(trimethylsilyl)methylselanylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-propyl-2-[tris(trimethylsilyl)methylselanylsulfanyl]-1H-pyrimidin-6-one (CID 136727770) is 4-propyl-2-[tris(trimethylsilyl)methylselanylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-propyl-2-[tris(trimethylsilyl)methylselanylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-propyl-2-[tris(trimethylsilyl)methylselanylsulfanyl]-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(S[Se]C([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)n1.
What is the InChIKey of 4-propyl-2-[tris(trimethylsilyl)methylselanylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is OXAOOZZHWUGCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2OSSeSi3/c1-11-12-14-13-15(20)19-16(18-14)21-22-17(23(2,3)4,24(5,6)7)25(8,9)10/h13H,11-12H2,1-10H3,(H,18,19,20).
What are the key properties of 4-propyl-2-[tris(trimethylsilyl)methylselanylsulfanyl]-1H-pyrimidin-6-one?
4-propyl-2-[tris(trimethylsilyl)methylselanylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 479.77 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-[tris(trimethylsilyl)methylselanylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136727770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).