2-(2-prop-2-enylcyclobutyl)sulfanylpyrimidine

C11H14N2S — CID 130367385

IUPAC2-(2-prop-2-enylcyclobutyl)sulfanylpyrimidine
SMILESC=CCC1CCC1Sc1ncccn1
InChIInChI=1S/C11H14N2S/c1-2-4-9-5-6-10(9)14-11-12-7-3-8-13-11/h2-3,7-10H,1,4-6H2
InChIKeySSGVGDIKHZJRLJ-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.92
Rot. Bonds4

About 2-(2-prop-2-enylcyclobutyl)sulfanylpyrimidine

2-(2-prop-2-enylcyclobutyl)sulfanylpyrimidine (PubChem CID 130367385) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(2-prop-2-enylcyclobutyl)sulfanylpyrimidine.

Molecular Properties

Compound Name2-(2-prop-2-enylcyclobutyl)sulfanylpyrimidine
PubChem CID130367385
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-(2-prop-2-enylcyclobutyl)sulfanylpyrimidine
SMILESC=CCC1CCC1Sc1ncccn1
InChIInChI=1S/C11H14N2S/c1-2-4-9-5-6-10(9)14-11-12-7-3-8-13-11/h2-3,7-10H,1,4-6H2
InChIKeySSGVGDIKHZJRLJ-UHFFFAOYSA-N
XLogP2.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2-prop-2-enylcyclobutyl)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-(2-prop-2-enylcyclobutyl)sulfanylpyrimidine?
The IUPAC name of 2-(2-prop-2-enylcyclobutyl)sulfanylpyrimidine (CID 130367385) is 2-(2-prop-2-enylcyclobutyl)sulfanylpyrimidine.
What is the SMILES notation for 2-(2-prop-2-enylcyclobutyl)sulfanylpyrimidine?
The canonical SMILES for 2-(2-prop-2-enylcyclobutyl)sulfanylpyrimidine is C=CCC1CCC1Sc1ncccn1.
What is the InChIKey of 2-(2-prop-2-enylcyclobutyl)sulfanylpyrimidine?
The InChIKey is SSGVGDIKHZJRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-2-4-9-5-6-10(9)14-11-12-7-3-8-13-11/h2-3,7-10H,1,4-6H2.
What are the key properties of 2-(2-prop-2-enylcyclobutyl)sulfanylpyrimidine?
2-(2-prop-2-enylcyclobutyl)sulfanylpyrimidine has a molecular weight of 206.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylcyclobutyl)sulfanylpyrimidine is sourced from PubChem (CID 130367385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).