2-(cyclohexylmethylsulfanyl)-1H-pyrimidin-6-one

C11H16N2OS — CID 51041716

IUPAC2-(cyclohexylmethylsulfanyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(SCC2CCCCC2)[nH]1
InChIInChI=1S/C11H16N2OS/c14-10-6-7-12-11(13-10)15-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,12,13,14)
InChIKeyYSTXMJYKVYXTNW-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.44
Rot. Bonds3

About 2-(cyclohexylmethylsulfanyl)-1H-pyrimidin-6-one

2-(cyclohexylmethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 51041716) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID51041716
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(cyclohexylmethylsulfanyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(SCC2CCCCC2)[nH]1
InChIInChI=1S/C11H16N2OS/c14-10-6-7-12-11(13-10)15-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,12,13,14)
InChIKeyYSTXMJYKVYXTNW-UHFFFAOYSA-N
XLogP2.44
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclohexylmethylsulfanyl)-1H-pyrimidin-6-one (CID 51041716) is 2-(cyclohexylmethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclohexylmethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclohexylmethylsulfanyl)-1H-pyrimidin-6-one is O=c1ccnc(SCC2CCCCC2)[nH]1.
What is the InChIKey of 2-(cyclohexylmethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is YSTXMJYKVYXTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-10-6-7-12-11(13-10)15-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,12,13,14).
What are the key properties of 2-(cyclohexylmethylsulfanyl)-1H-pyrimidin-6-one?
2-(cyclohexylmethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 224.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 51041716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).