6-fluoro-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

C7H8FN5 — CID 89181687

IUPAC6-fluoro-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(F)nc2c1cnn2C
InChIInChI=1S/C7H8FN5/c1-9-5-4-3-10-13(2)6(4)12-7(8)11-5/h3H,1-2H3,(H,9,11,12)
InChIKeyRYIVGMDYXIWRGH-UHFFFAOYSA-N
MW181.17 g/mol
LogP0.54
Rot. Bonds1

About 6-fluoro-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

6-fluoro-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 89181687) has the molecular formula C7H8FN5 and a molecular weight of 181.17 g/mol. Its IUPAC name is 6-fluoro-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID89181687
Molecular FormulaC7H8FN5
Molecular Weight181.17 g/mol
Exact Mass181.08
IUPAC Name6-fluoro-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(F)nc2c1cnn2C
InChIInChI=1S/C7H8FN5/c1-9-5-4-3-10-13(2)6(4)12-7(8)11-5/h3H,1-2H3,(H,9,11,12)
InChIKeyRYIVGMDYXIWRGH-UHFFFAOYSA-N
XLogP0.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 89181687) is 6-fluoro-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is CNc1nc(F)nc2c1cnn2C.
What is the InChIKey of 6-fluoro-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RYIVGMDYXIWRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN5/c1-9-5-4-3-10-13(2)6(4)12-7(8)11-5/h3H,1-2H3,(H,9,11,12).
What are the key properties of 6-fluoro-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
6-fluoro-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 181.17 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 89181687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).