1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)propan-2-one

C9H12N2OS — CID 67200186

IUPAC1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)propan-2-one
SMILESCSc1nc(C)cc(CC(C)=O)n1
InChIInChI=1S/C9H12N2OS/c1-6-4-8(5-7(2)12)11-9(10-6)13-3/h4H,5H2,1-3H3
InChIKeyTUVODYYYQPZXML-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.64
Rot. Bonds3

About 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)propan-2-one

1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)propan-2-one (PubChem CID 67200186) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)propan-2-one
PubChem CID67200186
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)propan-2-one
SMILESCSc1nc(C)cc(CC(C)=O)n1
InChIInChI=1S/C9H12N2OS/c1-6-4-8(5-7(2)12)11-9(10-6)13-3/h4H,5H2,1-3H3
InChIKeyTUVODYYYQPZXML-UHFFFAOYSA-N
XLogP1.64
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)propan-2-one?
The IUPAC name of 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)propan-2-one (CID 67200186) is 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)propan-2-one.
What is the SMILES notation for 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)propan-2-one?
The canonical SMILES for 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)propan-2-one is CSc1nc(C)cc(CC(C)=O)n1.
What is the InChIKey of 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)propan-2-one?
The InChIKey is TUVODYYYQPZXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-6-4-8(5-7(2)12)11-9(10-6)13-3/h4H,5H2,1-3H3.
What are the key properties of 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)propan-2-one?
1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)propan-2-one has a molecular weight of 196.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)propan-2-one is sourced from PubChem (CID 67200186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).