4,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one

C7H10N2OS — CID 135494970

IUPAC4,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C7H10N2OS/c1-4-5(2)8-7(11-3)9-6(4)10/h1-3H3,(H,8,9,10)
InChIKeyZLKSFIQDRGDZCG-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.11
Rot. Bonds1

About 4,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one

4,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 135494970) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 4,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID135494970
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name4,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C7H10N2OS/c1-4-5(2)8-7(11-3)9-6(4)10/h1-3H3,(H,8,9,10)
InChIKeyZLKSFIQDRGDZCG-UHFFFAOYSA-N
XLogP1.11
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one (CID 135494970) is 4,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one is CSc1nc(C)c(C)c(=O)[nH]1.
What is the InChIKey of 4,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is ZLKSFIQDRGDZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-4-5(2)8-7(11-3)9-6(4)10/h1-3H3,(H,8,9,10).
What are the key properties of 4,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one?
4,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 170.24 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135494970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).