3-ethyl-2-ethylsulfanylpyrimidin-4-one

C8H12N2OS — CID 12808415

IUPAC3-ethyl-2-ethylsulfanylpyrimidin-4-one
SMILESCCSc1nccc(=O)n1CC
InChIInChI=1S/C8H12N2OS/c1-3-10-7(11)5-6-9-8(10)12-4-2/h5-6H,3-4H2,1-2H3
InChIKeyPKCYVEVGXSSYPQ-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.38
Rot. Bonds3

About 3-ethyl-2-ethylsulfanylpyrimidin-4-one

3-ethyl-2-ethylsulfanylpyrimidin-4-one (PubChem CID 12808415) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-ethyl-2-ethylsulfanylpyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-ethylsulfanylpyrimidin-4-one
PubChem CID12808415
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name3-ethyl-2-ethylsulfanylpyrimidin-4-one
SMILESCCSc1nccc(=O)n1CC
InChIInChI=1S/C8H12N2OS/c1-3-10-7(11)5-6-9-8(10)12-4-2/h5-6H,3-4H2,1-2H3
InChIKeyPKCYVEVGXSSYPQ-UHFFFAOYSA-N
XLogP1.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-ethylsulfanylpyrimidin-4-one?
The IUPAC name of 3-ethyl-2-ethylsulfanylpyrimidin-4-one (CID 12808415) is 3-ethyl-2-ethylsulfanylpyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-ethylsulfanylpyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-ethylsulfanylpyrimidin-4-one is CCSc1nccc(=O)n1CC.
What is the InChIKey of 3-ethyl-2-ethylsulfanylpyrimidin-4-one?
The InChIKey is PKCYVEVGXSSYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-10-7(11)5-6-9-8(10)12-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-2-ethylsulfanylpyrimidin-4-one?
3-ethyl-2-ethylsulfanylpyrimidin-4-one has a molecular weight of 184.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-ethylsulfanylpyrimidin-4-one is sourced from PubChem (CID 12808415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).