2-(pyridin-4-ylmethylsulfanyl)pyrimidine

C10H9N3S — CID 13232441

IUPAC2-(pyridin-4-ylmethylsulfanyl)pyrimidine
SMILESc1cnc(SCc2ccncc2)nc1
InChIInChI=1S/C10H9N3S/c1-4-12-10(13-5-1)14-8-9-2-6-11-7-3-9/h1-7H,8H2
InChIKeyWFFIXZNLHHUGAV-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.16
Rot. Bonds3

About 2-(pyridin-4-ylmethylsulfanyl)pyrimidine

2-(pyridin-4-ylmethylsulfanyl)pyrimidine (PubChem CID 13232441) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2-(pyridin-4-ylmethylsulfanyl)pyrimidine
PubChem CID13232441
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name2-(pyridin-4-ylmethylsulfanyl)pyrimidine
SMILESc1cnc(SCc2ccncc2)nc1
InChIInChI=1S/C10H9N3S/c1-4-12-10(13-5-1)14-8-9-2-6-11-7-3-9/h1-7H,8H2
InChIKeyWFFIXZNLHHUGAV-UHFFFAOYSA-N
XLogP2.16
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(pyridin-4-ylmethylsulfanyl)pyrimidine 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 2-(pyridin-4-ylmethylsulfanyl)pyrimidine?
The IUPAC name of 2-(pyridin-4-ylmethylsulfanyl)pyrimidine (CID 13232441) is 2-(pyridin-4-ylmethylsulfanyl)pyrimidine.
What is the SMILES notation for 2-(pyridin-4-ylmethylsulfanyl)pyrimidine?
The canonical SMILES for 2-(pyridin-4-ylmethylsulfanyl)pyrimidine is c1cnc(SCc2ccncc2)nc1.
What is the InChIKey of 2-(pyridin-4-ylmethylsulfanyl)pyrimidine?
The InChIKey is WFFIXZNLHHUGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c1-4-12-10(13-5-1)14-8-9-2-6-11-7-3-9/h1-7H,8H2.
What are the key properties of 2-(pyridin-4-ylmethylsulfanyl)pyrimidine?
2-(pyridin-4-ylmethylsulfanyl)pyrimidine has a molecular weight of 203.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethylsulfanyl)pyrimidine is sourced from PubChem (CID 13232441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).