6-piperidin-1-yl-1H-pyrimidine-4-thione

C9H13N3S — CID 45496274

IUPAC6-piperidin-1-yl-1H-pyrimidine-4-thione
SMILESS=c1cc(N2CCCCC2)[nH]cn1
InChIInChI=1S/C9H13N3S/c13-9-6-8(10-7-11-9)12-4-2-1-3-5-12/h6-7H,1-5H2,(H,10,11,13)
InChIKeyZUTDSLFHLWKQLE-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.13
Rot. Bonds1

About 6-piperidin-1-yl-1H-pyrimidine-4-thione

6-piperidin-1-yl-1H-pyrimidine-4-thione (PubChem CID 45496274) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 6-piperidin-1-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-piperidin-1-yl-1H-pyrimidine-4-thione
PubChem CID45496274
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name6-piperidin-1-yl-1H-pyrimidine-4-thione
SMILESS=c1cc(N2CCCCC2)[nH]cn1
InChIInChI=1S/C9H13N3S/c13-9-6-8(10-7-11-9)12-4-2-1-3-5-12/h6-7H,1-5H2,(H,10,11,13)
InChIKeyZUTDSLFHLWKQLE-UHFFFAOYSA-N
XLogP2.13
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-piperidin-1-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-piperidin-1-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-piperidin-1-yl-1H-pyrimidine-4-thione (CID 45496274) is 6-piperidin-1-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-piperidin-1-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-piperidin-1-yl-1H-pyrimidine-4-thione is S=c1cc(N2CCCCC2)[nH]cn1.
What is the InChIKey of 6-piperidin-1-yl-1H-pyrimidine-4-thione?
The InChIKey is ZUTDSLFHLWKQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c13-9-6-8(10-7-11-9)12-4-2-1-3-5-12/h6-7H,1-5H2,(H,10,11,13).
What are the key properties of 6-piperidin-1-yl-1H-pyrimidine-4-thione?
6-piperidin-1-yl-1H-pyrimidine-4-thione has a molecular weight of 195.29 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 45496274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).