ethane;5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one

C8H14N2OS — CID 168894133

IUPACethane;5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCC.CSc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C6H8N2OS.C2H6/c1-4-3-7-6(10-2)8-5(4)9;1-2/h3H,1-2H3,(H,7,8,9);1-2H3
InChIKeyAOPPQIKRRXPXOT-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.83
Rot. Bonds1

About ethane;5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one

ethane;5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one (PubChem CID 168894133) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is ethane;5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameethane;5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
PubChem CID168894133
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Nameethane;5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
SMILESCC.CSc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C6H8N2OS.C2H6/c1-4-3-7-6(10-2)8-5(4)9;1-2/h3H,1-2H3,(H,7,8,9);1-2H3
InChIKeyAOPPQIKRRXPXOT-UHFFFAOYSA-N
XLogP1.83
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of ethane;5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one (CID 168894133) is ethane;5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for ethane;5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for ethane;5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one is CC.CSc1ncc(C)c(=O)[nH]1.
What is the InChIKey of ethane;5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is AOPPQIKRRXPXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS.C2H6/c1-4-3-7-6(10-2)8-5(4)9;1-2/h3H,1-2H3,(H,7,8,9);1-2H3.
What are the key properties of ethane;5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one?
ethane;5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 186.28 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 168894133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).