4-methyl-5-(2-methylprop-2-enyl)-2-methylsulfanyl-1H-pyrimidin-6-one

C10H14N2OS — CID 135431182

IUPAC4-methyl-5-(2-methylprop-2-enyl)-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESC=C(C)Cc1c(C)nc(SC)[nH]c1=O
InChIInChI=1S/C10H14N2OS/c1-6(2)5-8-7(3)11-10(14-4)12-9(8)13/h1,5H2,2-4H3,(H,11,12,13)
InChIKeyHBTHDOYQROJYQL-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.92
Rot. Bonds3

About 4-methyl-5-(2-methylprop-2-enyl)-2-methylsulfanyl-1H-pyrimidin-6-one

4-methyl-5-(2-methylprop-2-enyl)-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 135431182) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-methyl-5-(2-methylprop-2-enyl)-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-(2-methylprop-2-enyl)-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID135431182
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name4-methyl-5-(2-methylprop-2-enyl)-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESC=C(C)Cc1c(C)nc(SC)[nH]c1=O
InChIInChI=1S/C10H14N2OS/c1-6(2)5-8-7(3)11-10(14-4)12-9(8)13/h1,5H2,2-4H3,(H,11,12,13)
InChIKeyHBTHDOYQROJYQL-UHFFFAOYSA-N
XLogP1.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.92
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 4-methyl-5-(2-methylprop-2-enyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-(2-methylprop-2-enyl)-2-methylsulfanyl-1H-pyrimidin-6-one (CID 135431182) is 4-methyl-5-(2-methylprop-2-enyl)-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-(2-methylprop-2-enyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-(2-methylprop-2-enyl)-2-methylsulfanyl-1H-pyrimidin-6-one is C=C(C)Cc1c(C)nc(SC)[nH]c1=O.
What is the InChIKey of 4-methyl-5-(2-methylprop-2-enyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is HBTHDOYQROJYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-6(2)5-8-7(3)11-10(14-4)12-9(8)13/h1,5H2,2-4H3,(H,11,12,13).
What are the key properties of 4-methyl-5-(2-methylprop-2-enyl)-2-methylsulfanyl-1H-pyrimidin-6-one?
4-methyl-5-(2-methylprop-2-enyl)-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 210.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylprop-2-enyl)-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135431182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).