4-pyrimidin-4-ylsulfanylphenol

C10H8N2OS — CID 61254324

IUPAC4-pyrimidin-4-ylsulfanylphenol
SMILESOc1ccc(Sc2ccncn2)cc1
InChIInChI=1S/C10H8N2OS/c13-8-1-3-9(4-2-8)14-10-5-6-11-7-12-10/h1-7,13H
InChIKeyDHMGUGDNPSELEL-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.33
Rot. Bonds2

About 4-pyrimidin-4-ylsulfanylphenol

4-pyrimidin-4-ylsulfanylphenol (PubChem CID 61254324) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 4-pyrimidin-4-ylsulfanylphenol.

Molecular Properties

Compound Name4-pyrimidin-4-ylsulfanylphenol
PubChem CID61254324
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name4-pyrimidin-4-ylsulfanylphenol
SMILESOc1ccc(Sc2ccncn2)cc1
InChIInChI=1S/C10H8N2OS/c13-8-1-3-9(4-2-8)14-10-5-6-11-7-12-10/h1-7,13H
InChIKeyDHMGUGDNPSELEL-UHFFFAOYSA-N
XLogP2.33
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-pyrimidin-4-ylsulfanylphenol 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-pyrimidin-4-ylsulfanylphenol?
The IUPAC name of 4-pyrimidin-4-ylsulfanylphenol (CID 61254324) is 4-pyrimidin-4-ylsulfanylphenol.
What is the SMILES notation for 4-pyrimidin-4-ylsulfanylphenol?
The canonical SMILES for 4-pyrimidin-4-ylsulfanylphenol is Oc1ccc(Sc2ccncn2)cc1.
What is the InChIKey of 4-pyrimidin-4-ylsulfanylphenol?
The InChIKey is DHMGUGDNPSELEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c13-8-1-3-9(4-2-8)14-10-5-6-11-7-12-10/h1-7,13H.
What are the key properties of 4-pyrimidin-4-ylsulfanylphenol?
4-pyrimidin-4-ylsulfanylphenol has a molecular weight of 204.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-4-ylsulfanylphenol is sourced from PubChem (CID 61254324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).