6-propyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione

C11H16N2S2 — CID 106475254

IUPAC6-propyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CCCS2)[nH]1
InChIInChI=1S/C11H16N2S2/c1-2-4-8-7-10(14)13-11(12-8)9-5-3-6-15-9/h7,9H,2-6H2,1H3,(H,12,13,14)
InChIKeyMHIQWHZVKNLFTN-UHFFFAOYSA-N
MW240.40 g/mol
LogP3.66
Rot. Bonds3

About 6-propyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione

6-propyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106475254) has the molecular formula C11H16N2S2 and a molecular weight of 240.40 g/mol. Its IUPAC name is 6-propyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-propyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione
PubChem CID106475254
Molecular FormulaC11H16N2S2
Molecular Weight240.40 g/mol
Exact Mass240.08
IUPAC Name6-propyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2CCCS2)[nH]1
InChIInChI=1S/C11H16N2S2/c1-2-4-8-7-10(14)13-11(12-8)9-5-3-6-15-9/h7,9H,2-6H2,1H3,(H,12,13,14)
InChIKeyMHIQWHZVKNLFTN-UHFFFAOYSA-N
XLogP3.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-propyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione 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 6-propyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-propyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione (CID 106475254) is 6-propyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-propyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-propyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(C2CCCS2)[nH]1.
What is the InChIKey of 6-propyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is MHIQWHZVKNLFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S2/c1-2-4-8-7-10(14)13-11(12-8)9-5-3-6-15-9/h7,9H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 6-propyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione?
6-propyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 240.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).