3-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one

C8H12N2O2S — CID 135441610

IUPAC3-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one
SMILESCCSc1nc(O)cc(=O)n1CC
InChIInChI=1S/C8H12N2O2S/c1-3-10-7(12)5-6(11)9-8(10)13-4-2/h5,11H,3-4H2,1-2H3
InChIKeyQYNKHRCAOFWUIO-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.08
Rot. Bonds3

About 3-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one

3-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one (PubChem CID 135441610) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 3-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one
PubChem CID135441610
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name3-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one
SMILESCCSc1nc(O)cc(=O)n1CC
InChIInChI=1S/C8H12N2O2S/c1-3-10-7(12)5-6(11)9-8(10)13-4-2/h5,11H,3-4H2,1-2H3
InChIKeyQYNKHRCAOFWUIO-UHFFFAOYSA-N
XLogP1.08
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-3,4-dihydro-2H,8H-pyrimido[2,1-b][1,3]thiazin-8-one
CID 135435893
Ammonium 3-allyl-2-(butylthio)-6-oxo-3,6-dihydropyrimidin-4-olate
CID 16681927
N,N-diethyl-2-{[4-hydroxy-6-oxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
CID 135420395
N,N-diethyl-2-((1-ethyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135401674
3-allyl-2-(ethylthio)-6-hydroxy-4(3H)-pyrimidinone
CID 135421752
3-allyl-6-hydroxy-2-(propylthio)-4(3H)-pyrimidinone
CID 135426517
3-allyl-2-(sec-butylthio)-6-hydroxy-4(3H)-pyrimidinone
CID 135458827
1-Ethyl-6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one
CID 135512332
2-(butylthio)-1-ethyl-6-hydroxy-4(1H)-pyrimidinone
CID 135420636
N,N-diethyl-2-[(4-hydroxy-6-methoxypyrimidin-2-yl)sulfanyl]acetamide
CID 799973
N-tert-butyl-2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135449566
N-tert-butyl-2-[(1-ethyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135403382

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one?
The IUPAC name of 3-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one (CID 135441610) is 3-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one is CCSc1nc(O)cc(=O)n1CC.
What is the InChIKey of 3-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one?
The InChIKey is QYNKHRCAOFWUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-3-10-7(12)5-6(11)9-8(10)13-4-2/h5,11H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one?
3-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one has a molecular weight of 200.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one is sourced from PubChem (CID 135441610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).