3-(fluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C6H6FN5 — CID 141364794

IUPAC3-(fluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(CF)c12
InChIInChI=1S/C6H6FN5/c7-1-3-4-5(8)9-2-10-6(4)12-11-3/h2H,1H2,(H3,8,9,10,11,12)
InChIKeyUWIHODFTUACBEN-UHFFFAOYSA-N
MW167.15 g/mol
LogP0.40
Rot. Bonds1

About 3-(fluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-(fluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 141364794) has the molecular formula C6H6FN5 and a molecular weight of 167.15 g/mol. Its IUPAC name is 3-(fluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(fluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID141364794
Molecular FormulaC6H6FN5
Molecular Weight167.15 g/mol
Exact Mass167.06
IUPAC Name3-(fluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(CF)c12
InChIInChI=1S/C6H6FN5/c7-1-3-4-5(8)9-2-10-6(4)12-11-3/h2H,1H2,(H3,8,9,10,11,12)
InChIKeyUWIHODFTUACBEN-UHFFFAOYSA-N
XLogP0.40
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(fluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 141364794) is 3-(fluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(fluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(fluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2n[nH]c(CF)c12.
What is the InChIKey of 3-(fluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UWIHODFTUACBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN5/c7-1-3-4-5(8)9-2-10-6(4)12-11-3/h2H,1H2,(H3,8,9,10,11,12).
What are the key properties of 3-(fluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-(fluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 167.15 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 141364794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).