(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl) thiohypofluorite

C6H6FN5S — CID 126660787

IUPAC(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl) thiohypofluorite
SMILESCc1nn(SF)c2ncnc(N)c12
InChIInChI=1S/C6H6FN5S/c1-3-4-5(8)9-2-10-6(4)12(11-3)13-7/h2H,1H3,(H2,8,9,10)
InChIKeyADTGBCGDHIDFNF-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.10
Rot. Bonds1

About (4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl) thiohypofluorite

(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl) thiohypofluorite (PubChem CID 126660787) has the molecular formula C6H6FN5S and a molecular weight of 199.21 g/mol. Its IUPAC name is (4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl) thiohypofluorite.

Molecular Properties

Compound Name(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl) thiohypofluorite
PubChem CID126660787
Molecular FormulaC6H6FN5S
Molecular Weight199.21 g/mol
Exact Mass199.03
IUPAC Name(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl) thiohypofluorite
SMILESCc1nn(SF)c2ncnc(N)c12
InChIInChI=1S/C6H6FN5S/c1-3-4-5(8)9-2-10-6(4)12(11-3)13-7/h2H,1H3,(H2,8,9,10)
InChIKeyADTGBCGDHIDFNF-UHFFFAOYSA-N
XLogP1.10
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl) thiohypofluorite?
The IUPAC name of (4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl) thiohypofluorite (CID 126660787) is (4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl) thiohypofluorite.
What is the SMILES notation for (4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl) thiohypofluorite?
The canonical SMILES for (4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl) thiohypofluorite is Cc1nn(SF)c2ncnc(N)c12.
What is the InChIKey of (4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl) thiohypofluorite?
The InChIKey is ADTGBCGDHIDFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN5S/c1-3-4-5(8)9-2-10-6(4)12(11-3)13-7/h2H,1H3,(H2,8,9,10).
What are the key properties of (4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl) thiohypofluorite?
(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl) thiohypofluorite has a molecular weight of 199.21 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl) thiohypofluorite is sourced from PubChem (CID 126660787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).