5,6-dimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C12H16N4S — CID 162630201

IUPAC5,6-dimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ccnn2c(NC2CCSC2)c1C
InChIInChI=1S/C12H16N4S/c1-8-9(2)14-11-3-5-13-16(11)12(8)15-10-4-6-17-7-10/h3,5,10,15H,4,6-7H2,1-2H3
InChIKeySRYHRRHQEGNRFL-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.26
Rot. Bonds2

About 5,6-dimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5,6-dimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 162630201) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 5,6-dimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID162630201
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name5,6-dimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ccnn2c(NC2CCSC2)c1C
InChIInChI=1S/C12H16N4S/c1-8-9(2)14-11-3-5-13-16(11)12(8)15-10-4-6-17-7-10/h3,5,10,15H,4,6-7H2,1-2H3
InChIKeySRYHRRHQEGNRFL-UHFFFAOYSA-N
XLogP2.26
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5,6-dimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 162630201) is 5,6-dimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5,6-dimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5,6-dimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ccnn2c(NC2CCSC2)c1C.
What is the InChIKey of 5,6-dimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SRYHRRHQEGNRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-8-9(2)14-11-3-5-13-16(11)12(8)15-10-4-6-17-7-10/h3,5,10,15H,4,6-7H2,1-2H3.
What are the key properties of 5,6-dimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5,6-dimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 248.35 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 162630201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).