5-(2-methylsulfanylethyl)-1H-pyrimidin-6-one

C7H10N2OS — CID 167255500

IUPAC5-(2-methylsulfanylethyl)-1H-pyrimidin-6-one
SMILESCSCCc1cnc[nH]c1=O
InChIInChI=1S/C7H10N2OS/c1-11-3-2-6-4-8-5-9-7(6)10/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyOURQGNYEXJSBFS-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.68
Rot. Bonds3

About 5-(2-methylsulfanylethyl)-1H-pyrimidin-6-one

5-(2-methylsulfanylethyl)-1H-pyrimidin-6-one (PubChem CID 167255500) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 5-(2-methylsulfanylethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-methylsulfanylethyl)-1H-pyrimidin-6-one
PubChem CID167255500
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name5-(2-methylsulfanylethyl)-1H-pyrimidin-6-one
SMILESCSCCc1cnc[nH]c1=O
InChIInChI=1S/C7H10N2OS/c1-11-3-2-6-4-8-5-9-7(6)10/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyOURQGNYEXJSBFS-UHFFFAOYSA-N
XLogP0.68
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-methylsulfanylethyl)-1H-pyrimidin-6-one (CID 167255500) is 5-(2-methylsulfanylethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-methylsulfanylethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-methylsulfanylethyl)-1H-pyrimidin-6-one is CSCCc1cnc[nH]c1=O.
What is the InChIKey of 5-(2-methylsulfanylethyl)-1H-pyrimidin-6-one?
The InChIKey is OURQGNYEXJSBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-11-3-2-6-4-8-5-9-7(6)10/h4-5H,2-3H2,1H3,(H,8,9,10).
What are the key properties of 5-(2-methylsulfanylethyl)-1H-pyrimidin-6-one?
5-(2-methylsulfanylethyl)-1H-pyrimidin-6-one has a molecular weight of 170.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 167255500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).