4-methyl-6-methylsulfanyl-2-piperazin-1-ylpyrimidine

C10H16N4S — CID 122528799

IUPAC4-methyl-6-methylsulfanyl-2-piperazin-1-ylpyrimidine
SMILESCSc1cc(C)nc(N2CCNCC2)n1
InChIInChI=1S/C10H16N4S/c1-8-7-9(15-2)13-10(12-8)14-5-3-11-4-6-14/h7,11H,3-6H2,1-2H3
InChIKeyWFNCOXZAMWHQKQ-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.92
Rot. Bonds2

About 4-methyl-6-methylsulfanyl-2-piperazin-1-ylpyrimidine

4-methyl-6-methylsulfanyl-2-piperazin-1-ylpyrimidine (PubChem CID 122528799) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-methyl-6-methylsulfanyl-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-6-methylsulfanyl-2-piperazin-1-ylpyrimidine
PubChem CID122528799
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name4-methyl-6-methylsulfanyl-2-piperazin-1-ylpyrimidine
SMILESCSc1cc(C)nc(N2CCNCC2)n1
InChIInChI=1S/C10H16N4S/c1-8-7-9(15-2)13-10(12-8)14-5-3-11-4-6-14/h7,11H,3-6H2,1-2H3
InChIKeyWFNCOXZAMWHQKQ-UHFFFAOYSA-N
XLogP0.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-6-methylsulfanyl-2-piperazin-1-ylpyrimidine 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-methyl-6-methylsulfanyl-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-methyl-6-methylsulfanyl-2-piperazin-1-ylpyrimidine (CID 122528799) is 4-methyl-6-methylsulfanyl-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-methyl-6-methylsulfanyl-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-methyl-6-methylsulfanyl-2-piperazin-1-ylpyrimidine is CSc1cc(C)nc(N2CCNCC2)n1.
What is the InChIKey of 4-methyl-6-methylsulfanyl-2-piperazin-1-ylpyrimidine?
The InChIKey is WFNCOXZAMWHQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-8-7-9(15-2)13-10(12-8)14-5-3-11-4-6-14/h7,11H,3-6H2,1-2H3.
What are the key properties of 4-methyl-6-methylsulfanyl-2-piperazin-1-ylpyrimidine?
4-methyl-6-methylsulfanyl-2-piperazin-1-ylpyrimidine has a molecular weight of 224.33 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-methylsulfanyl-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 122528799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).