3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C5H4FN5 — CID 122381068

IUPAC3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(F)c12
InChIInChI=1S/C5H4FN5/c6-3-2-4(7)8-1-9-5(2)11-10-3/h1H,(H3,7,8,9,10,11)
InChIKeyYGHLTWPAWVNJLW-UHFFFAOYSA-N
MW153.12 g/mol
LogP0.07
Rot. Bonds

About 3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 122381068) has the molecular formula C5H4FN5 and a molecular weight of 153.12 g/mol. Its IUPAC name is 3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID122381068
Molecular FormulaC5H4FN5
Molecular Weight153.12 g/mol
Exact Mass153.05
IUPAC Name3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(F)c12
InChIInChI=1S/C5H4FN5/c6-3-2-4(7)8-1-9-5(2)11-10-3/h1H,(H3,7,8,9,10,11)
InChIKeyYGHLTWPAWVNJLW-UHFFFAOYSA-N
XLogP0.07
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 122381068) is 3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2n[nH]c(F)c12.
What is the InChIKey of 3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YGHLTWPAWVNJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4FN5/c6-3-2-4(7)8-1-9-5(2)11-10-3/h1H,(H3,7,8,9,10,11).
What are the key properties of 3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 153.12 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 122381068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).