2-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-6-amine

C11H14N4S — CID 117103504

IUPAC2-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-6-amine
SMILESNc1cnc2cc(C3CCSCC3)nn2c1
InChIInChI=1S/C11H14N4S/c12-9-6-13-11-5-10(14-15(11)7-9)8-1-3-16-4-2-8/h5-8H,1-4,12H2
InChIKeyUOZWWQJJVMIDEX-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.92
Rot. Bonds1

About 2-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-6-amine

2-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-6-amine (PubChem CID 117103504) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 2-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name2-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-6-amine
PubChem CID117103504
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name2-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-6-amine
SMILESNc1cnc2cc(C3CCSCC3)nn2c1
InChIInChI=1S/C11H14N4S/c12-9-6-13-11-5-10(14-15(11)7-9)8-1-3-16-4-2-8/h5-8H,1-4,12H2
InChIKeyUOZWWQJJVMIDEX-UHFFFAOYSA-N
XLogP1.92
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-6-amine 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-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 2-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-6-amine (CID 117103504) is 2-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 2-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 2-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-6-amine is Nc1cnc2cc(C3CCSCC3)nn2c1.
What is the InChIKey of 2-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-6-amine?
The InChIKey is UOZWWQJJVMIDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c12-9-6-13-11-5-10(14-15(11)7-9)8-1-3-16-4-2-8/h5-8H,1-4,12H2.
What are the key properties of 2-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-6-amine?
2-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-6-amine has a molecular weight of 234.33 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 117103504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).