2-(1-methylcyclohexyl)sulfanylpyrimidine

C11H16N2S — CID 166636862

IUPAC2-(1-methylcyclohexyl)sulfanylpyrimidine
SMILESCC1(Sc2ncccn2)CCCCC1
InChIInChI=1S/C11H16N2S/c1-11(6-3-2-4-7-11)14-10-12-8-5-9-13-10/h5,8-9H,2-4,6-7H2,1H3
InChIKeyYZUUXOCDZRGLTL-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.29
Rot. Bonds2

About 2-(1-methylcyclohexyl)sulfanylpyrimidine

2-(1-methylcyclohexyl)sulfanylpyrimidine (PubChem CID 166636862) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(1-methylcyclohexyl)sulfanylpyrimidine.

Molecular Properties

Compound Name2-(1-methylcyclohexyl)sulfanylpyrimidine
PubChem CID166636862
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-(1-methylcyclohexyl)sulfanylpyrimidine
SMILESCC1(Sc2ncccn2)CCCCC1
InChIInChI=1S/C11H16N2S/c1-11(6-3-2-4-7-11)14-10-12-8-5-9-13-10/h5,8-9H,2-4,6-7H2,1H3
InChIKeyYZUUXOCDZRGLTL-UHFFFAOYSA-N
XLogP3.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-methylcyclohexyl)sulfanylpyrimidine 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-(1-methylcyclohexyl)sulfanylpyrimidine?
The IUPAC name of 2-(1-methylcyclohexyl)sulfanylpyrimidine (CID 166636862) is 2-(1-methylcyclohexyl)sulfanylpyrimidine.
What is the SMILES notation for 2-(1-methylcyclohexyl)sulfanylpyrimidine?
The canonical SMILES for 2-(1-methylcyclohexyl)sulfanylpyrimidine is CC1(Sc2ncccn2)CCCCC1.
What is the InChIKey of 2-(1-methylcyclohexyl)sulfanylpyrimidine?
The InChIKey is YZUUXOCDZRGLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-11(6-3-2-4-7-11)14-10-12-8-5-9-13-10/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of 2-(1-methylcyclohexyl)sulfanylpyrimidine?
2-(1-methylcyclohexyl)sulfanylpyrimidine has a molecular weight of 208.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclohexyl)sulfanylpyrimidine is sourced from PubChem (CID 166636862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).