2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one

C11H17N3OS — CID 110379577

IUPAC2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(SCCN2CCCCC2)[nH]1
InChIInChI=1S/C11H17N3OS/c15-10-4-5-12-11(13-10)16-9-8-14-6-2-1-3-7-14/h4-5H,1-3,6-9H2,(H,12,13,15)
InChIKeyYOVYAUSUGPCSSM-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.35
Rot. Bonds4

About 2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one

2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 110379577) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID110379577
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(SCCN2CCCCC2)[nH]1
InChIInChI=1S/C11H17N3OS/c15-10-4-5-12-11(13-10)16-9-8-14-6-2-1-3-7-14/h4-5H,1-3,6-9H2,(H,12,13,15)
InChIKeyYOVYAUSUGPCSSM-UHFFFAOYSA-N
XLogP1.35
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one (CID 110379577) is 2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one is O=c1ccnc(SCCN2CCCCC2)[nH]1.
What is the InChIKey of 2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is YOVYAUSUGPCSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c15-10-4-5-12-11(13-10)16-9-8-14-6-2-1-3-7-14/h4-5H,1-3,6-9H2,(H,12,13,15).
What are the key properties of 2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one?
2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 239.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 110379577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).