2-ethylsulfanyl-4-propyl-1H-pyrimidin-6-one

C9H14N2OS — CID 135402275

IUPAC2-ethylsulfanyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCC)n1
InChIInChI=1S/C9H14N2OS/c1-3-5-7-6-8(12)11-9(10-7)13-4-2/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyUSYJPURHWWPPBO-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.83
Rot. Bonds4

About 2-ethylsulfanyl-4-propyl-1H-pyrimidin-6-one

2-ethylsulfanyl-4-propyl-1H-pyrimidin-6-one (PubChem CID 135402275) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethylsulfanyl-4-propyl-1H-pyrimidin-6-one
PubChem CID135402275
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-ethylsulfanyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCC)n1
InChIInChI=1S/C9H14N2OS/c1-3-5-7-6-8(12)11-9(10-7)13-4-2/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyUSYJPURHWWPPBO-UHFFFAOYSA-N
XLogP1.83
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-ethylsulfanyl-4-propyl-1H-pyrimidin-6-one (CID 135402275) is 2-ethylsulfanyl-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethylsulfanyl-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethylsulfanyl-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(SCC)n1.
What is the InChIKey of 2-ethylsulfanyl-4-propyl-1H-pyrimidin-6-one?
The InChIKey is USYJPURHWWPPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-3-5-7-6-8(12)11-9(10-7)13-4-2/h6H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 2-ethylsulfanyl-4-propyl-1H-pyrimidin-6-one?
2-ethylsulfanyl-4-propyl-1H-pyrimidin-6-one has a molecular weight of 198.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135402275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).