2-(2-methylpentan-2-ylsulfanyl)pyrimidine

C10H16N2S — CID 130456697

IUPAC2-(2-methylpentan-2-ylsulfanyl)pyrimidine
SMILESCCCC(C)(C)Sc1ncccn1
InChIInChI=1S/C10H16N2S/c1-4-6-10(2,3)13-9-11-7-5-8-12-9/h5,7-8H,4,6H2,1-3H3
InChIKeyMSNAUHCBPICYGC-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.15
Rot. Bonds4

About 2-(2-methylpentan-2-ylsulfanyl)pyrimidine

2-(2-methylpentan-2-ylsulfanyl)pyrimidine (PubChem CID 130456697) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-(2-methylpentan-2-ylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2-(2-methylpentan-2-ylsulfanyl)pyrimidine
PubChem CID130456697
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-(2-methylpentan-2-ylsulfanyl)pyrimidine
SMILESCCCC(C)(C)Sc1ncccn1
InChIInChI=1S/C10H16N2S/c1-4-6-10(2,3)13-9-11-7-5-8-12-9/h5,7-8H,4,6H2,1-3H3
InChIKeyMSNAUHCBPICYGC-UHFFFAOYSA-N
XLogP3.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylpentan-2-ylsulfanyl)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-(2-methylpentan-2-ylsulfanyl)pyrimidine?
The IUPAC name of 2-(2-methylpentan-2-ylsulfanyl)pyrimidine (CID 130456697) is 2-(2-methylpentan-2-ylsulfanyl)pyrimidine.
What is the SMILES notation for 2-(2-methylpentan-2-ylsulfanyl)pyrimidine?
The canonical SMILES for 2-(2-methylpentan-2-ylsulfanyl)pyrimidine is CCCC(C)(C)Sc1ncccn1.
What is the InChIKey of 2-(2-methylpentan-2-ylsulfanyl)pyrimidine?
The InChIKey is MSNAUHCBPICYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-4-6-10(2,3)13-9-11-7-5-8-12-9/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 2-(2-methylpentan-2-ylsulfanyl)pyrimidine?
2-(2-methylpentan-2-ylsulfanyl)pyrimidine has a molecular weight of 196.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-2-ylsulfanyl)pyrimidine is sourced from PubChem (CID 130456697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).