4-[(4-methylsulfanylphenyl)methyl]pyrimidine

C12H12N2S — CID 46907061

IUPAC4-[(4-methylsulfanylphenyl)methyl]pyrimidine
SMILESCSc1ccc(Cc2ccncn2)cc1
InChIInChI=1S/C12H12N2S/c1-15-12-4-2-10(3-5-12)8-11-6-7-13-9-14-11/h2-7,9H,8H2,1H3
InChIKeyUJJCKFVSBGSGGF-UHFFFAOYSA-N
MW216.31 g/mol
LogP2.79
Rot. Bonds3

About 4-[(4-methylsulfanylphenyl)methyl]pyrimidine

4-[(4-methylsulfanylphenyl)methyl]pyrimidine (PubChem CID 46907061) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 4-[(4-methylsulfanylphenyl)methyl]pyrimidine.

Molecular Properties

Compound Name4-[(4-methylsulfanylphenyl)methyl]pyrimidine
PubChem CID46907061
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name4-[(4-methylsulfanylphenyl)methyl]pyrimidine
SMILESCSc1ccc(Cc2ccncn2)cc1
InChIInChI=1S/C12H12N2S/c1-15-12-4-2-10(3-5-12)8-11-6-7-13-9-14-11/h2-7,9H,8H2,1H3
InChIKeyUJJCKFVSBGSGGF-UHFFFAOYSA-N
XLogP2.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(4-methylsulfanylphenyl)methyl]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 4-[(4-methylsulfanylphenyl)methyl]pyrimidine?
The IUPAC name of 4-[(4-methylsulfanylphenyl)methyl]pyrimidine (CID 46907061) is 4-[(4-methylsulfanylphenyl)methyl]pyrimidine.
What is the SMILES notation for 4-[(4-methylsulfanylphenyl)methyl]pyrimidine?
The canonical SMILES for 4-[(4-methylsulfanylphenyl)methyl]pyrimidine is CSc1ccc(Cc2ccncn2)cc1.
What is the InChIKey of 4-[(4-methylsulfanylphenyl)methyl]pyrimidine?
The InChIKey is UJJCKFVSBGSGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-15-12-4-2-10(3-5-12)8-11-6-7-13-9-14-11/h2-7,9H,8H2,1H3.
What are the key properties of 4-[(4-methylsulfanylphenyl)methyl]pyrimidine?
4-[(4-methylsulfanylphenyl)methyl]pyrimidine has a molecular weight of 216.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylsulfanylphenyl)methyl]pyrimidine is sourced from PubChem (CID 46907061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).