4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one

C6H8N2OS — CID 135400507

IUPAC4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C6H8N2OS/c1-4-3-5(9)8-6(7-4)10-2/h3H,1-2H3,(H,7,8,9)
InChIKeyOCOHPSHRDKBGOZ-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.80
Rot. Bonds1

About 4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one

4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 135400507) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID135400507
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCSc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C6H8N2OS/c1-4-3-5(9)8-6(7-4)10-2/h3H,1-2H3,(H,7,8,9)
InChIKeyOCOHPSHRDKBGOZ-UHFFFAOYSA-N
XLogP0.80
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one (CID 135400507) is 4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one is CSc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is OCOHPSHRDKBGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-4-3-5(9)8-6(7-4)10-2/h3H,1-2H3,(H,7,8,9).
What are the key properties of 4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 156.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135400507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).