4-methyl-2-propylsulfanylpyrimidine

C8H12N2S — CID 118606351

IUPAC4-methyl-2-propylsulfanylpyrimidine
SMILESCCCSc1nccc(C)n1
InChIInChI=1S/C8H12N2S/c1-3-6-11-8-9-5-4-7(2)10-8/h4-5H,3,6H2,1-2H3
InChIKeyRYLVWGHXNARIHH-UHFFFAOYSA-N
MW168.27 g/mol
LogP2.29
Rot. Bonds3

About 4-methyl-2-propylsulfanylpyrimidine

4-methyl-2-propylsulfanylpyrimidine (PubChem CID 118606351) has the molecular formula C8H12N2S and a molecular weight of 168.27 g/mol. Its IUPAC name is 4-methyl-2-propylsulfanylpyrimidine.

Molecular Properties

Compound Name4-methyl-2-propylsulfanylpyrimidine
PubChem CID118606351
Molecular FormulaC8H12N2S
Molecular Weight168.27 g/mol
Exact Mass168.07
IUPAC Name4-methyl-2-propylsulfanylpyrimidine
SMILESCCCSc1nccc(C)n1
InChIInChI=1S/C8H12N2S/c1-3-6-11-8-9-5-4-7(2)10-8/h4-5H,3,6H2,1-2H3
InChIKeyRYLVWGHXNARIHH-UHFFFAOYSA-N
XLogP2.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-propylsulfanylpyrimidine 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-2-propylsulfanylpyrimidine?
The IUPAC name of 4-methyl-2-propylsulfanylpyrimidine (CID 118606351) is 4-methyl-2-propylsulfanylpyrimidine.
What is the SMILES notation for 4-methyl-2-propylsulfanylpyrimidine?
The canonical SMILES for 4-methyl-2-propylsulfanylpyrimidine is CCCSc1nccc(C)n1.
What is the InChIKey of 4-methyl-2-propylsulfanylpyrimidine?
The InChIKey is RYLVWGHXNARIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-3-6-11-8-9-5-4-7(2)10-8/h4-5H,3,6H2,1-2H3.
What are the key properties of 4-methyl-2-propylsulfanylpyrimidine?
4-methyl-2-propylsulfanylpyrimidine has a molecular weight of 168.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propylsulfanylpyrimidine is sourced from PubChem (CID 118606351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).