1-[(1R)-1-sulfanylethyl]pyrimidin-2-one

C6H8N2OS — CID 134448141

IUPAC1-[(1R)-1-sulfanylethyl]pyrimidin-2-one
SMILESC[C@@H](S)n1cccnc1=O
InChIInChI=1S/C6H8N2OS/c1-5(10)8-4-2-3-7-6(8)9/h2-5,10H,1H3/t5-/m1/s1
InChIKeyLKJJFRAKFPNKDC-RXMQYKEDSA-N
MW156.21 g/mol
LogP0.69
Rot. Bonds1

About 1-[(1R)-1-sulfanylethyl]pyrimidin-2-one

1-[(1R)-1-sulfanylethyl]pyrimidin-2-one (PubChem CID 134448141) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 1-[(1R)-1-sulfanylethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[(1R)-1-sulfanylethyl]pyrimidin-2-one
PubChem CID134448141
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name1-[(1R)-1-sulfanylethyl]pyrimidin-2-one
SMILESC[C@@H](S)n1cccnc1=O
InChIInChI=1S/C6H8N2OS/c1-5(10)8-4-2-3-7-6(8)9/h2-5,10H,1H3/t5-/m1/s1
InChIKeyLKJJFRAKFPNKDC-RXMQYKEDSA-N
XLogP0.69
TPSA34.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-[(1R)-1-sulfanylethyl]pyrimidin-2-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 1-[(1R)-1-sulfanylethyl]pyrimidin-2-one?
The IUPAC name of 1-[(1R)-1-sulfanylethyl]pyrimidin-2-one (CID 134448141) is 1-[(1R)-1-sulfanylethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[(1R)-1-sulfanylethyl]pyrimidin-2-one?
The canonical SMILES for 1-[(1R)-1-sulfanylethyl]pyrimidin-2-one is C[C@@H](S)n1cccnc1=O.
What is the InChIKey of 1-[(1R)-1-sulfanylethyl]pyrimidin-2-one?
The InChIKey is LKJJFRAKFPNKDC-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-5(10)8-4-2-3-7-6(8)9/h2-5,10H,1H3/t5-/m1/s1.
What are the key properties of 1-[(1R)-1-sulfanylethyl]pyrimidin-2-one?
1-[(1R)-1-sulfanylethyl]pyrimidin-2-one has a molecular weight of 156.21 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-sulfanylethyl]pyrimidin-2-one is sourced from PubChem (CID 134448141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).