2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-amine

C7H8N4S — CID 67053233

IUPAC2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-amine
SMILESCSc1cc2ncc(N)cn2n1
InChIInChI=1S/C7H8N4S/c1-12-7-2-6-9-3-5(8)4-11(6)10-7/h2-4H,8H2,1H3
InChIKeyHEBKBDYORDFRAF-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.03
Rot. Bonds1

About 2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-amine

2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-amine (PubChem CID 67053233) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-amine
PubChem CID67053233
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-amine
SMILESCSc1cc2ncc(N)cn2n1
InChIInChI=1S/C7H8N4S/c1-12-7-2-6-9-3-5(8)4-11(6)10-7/h2-4H,8H2,1H3
InChIKeyHEBKBDYORDFRAF-UHFFFAOYSA-N
XLogP1.03
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-amine (CID 67053233) is 2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-amine is CSc1cc2ncc(N)cn2n1.
What is the InChIKey of 2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-amine?
The InChIKey is HEBKBDYORDFRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-12-7-2-6-9-3-5(8)4-11(6)10-7/h2-4H,8H2,1H3.
What are the key properties of 2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-amine?
2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-amine has a molecular weight of 180.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 67053233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).