5-ethyl-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one

C8H12N2O2S — CID 63612783

IUPAC5-ethyl-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(CSC)[nH]c1=O
InChIInChI=1S/C8H12N2O2S/c1-3-5-7(11)9-6(4-13-2)10-8(5)12/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyVLBDHARMESXWTA-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.90
Rot. Bonds3

About 5-ethyl-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one (PubChem CID 63612783) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one
PubChem CID63612783
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name5-ethyl-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(CSC)[nH]c1=O
InChIInChI=1S/C8H12N2O2S/c1-3-5-7(11)9-6(4-13-2)10-8(5)12/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyVLBDHARMESXWTA-UHFFFAOYSA-N
XLogP0.90
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one (CID 63612783) is 5-ethyl-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one is CCc1c(O)nc(CSC)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one?
The InChIKey is VLBDHARMESXWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-3-5-7(11)9-6(4-13-2)10-8(5)12/h3-4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 5-ethyl-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one has a molecular weight of 200.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63612783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).