5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C11H14N4S — CID 66584856

IUPAC5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(C2CCSCC2)nc2ccnn12
InChIInChI=1S/C11H14N4S/c12-10-7-9(8-2-5-16-6-3-8)14-11-1-4-13-15(10)11/h1,4,7-8H,2-3,5-6,12H2
InChIKeyOSFDBIJOJILXGU-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.92
Rot. Bonds1

About 5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 66584856) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID66584856
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(C2CCSCC2)nc2ccnn12
InChIInChI=1S/C11H14N4S/c12-10-7-9(8-2-5-16-6-3-8)14-11-1-4-13-15(10)11/h1,4,7-8H,2-3,5-6,12H2
InChIKeyOSFDBIJOJILXGU-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

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Frequently Asked Questions

What is the IUPAC name of 5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 66584856) is 5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Nc1cc(C2CCSCC2)nc2ccnn12.
What is the InChIKey of 5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OSFDBIJOJILXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c12-10-7-9(8-2-5-16-6-3-8)14-11-1-4-13-15(10)11/h1,4,7-8H,2-3,5-6,12H2.
What are the key properties of 5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-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 5-(thian-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 66584856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).