5-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one

C8H10N2OS — CID 69394765

IUPAC5-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one
SMILESC=CCSc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C8H10N2OS/c1-3-4-12-8-9-5-6(2)7(11)10-8/h3,5H,1,4H2,2H3,(H,9,10,11)
InChIKeyCVYULNJRCJSOMY-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.36
Rot. Bonds3

About 5-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one

5-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one (PubChem CID 69394765) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 5-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one
PubChem CID69394765
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name5-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one
SMILESC=CCSc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C8H10N2OS/c1-3-4-12-8-9-5-6(2)7(11)10-8/h3,5H,1,4H2,2H3,(H,9,10,11)
InChIKeyCVYULNJRCJSOMY-UHFFFAOYSA-N
XLogP1.36
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one (CID 69394765) is 5-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one is C=CCSc1ncc(C)c(=O)[nH]1.
What is the InChIKey of 5-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is CVYULNJRCJSOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-3-4-12-8-9-5-6(2)7(11)10-8/h3,5H,1,4H2,2H3,(H,9,10,11).
What are the key properties of 5-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one?
5-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 182.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 69394765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).