6-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C11H8FN5 — CID 110171305

IUPAC6-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccccc2F)nc2[nH]ncc12
InChIInChI=1S/C11H8FN5/c12-8-4-2-1-3-6(8)10-15-9(13)7-5-14-17-11(7)16-10/h1-5H,(H3,13,14,15,16,17)
InChIKeyBIAPWCIIEWYTBQ-UHFFFAOYSA-N
MW229.22 g/mol
LogP1.74
Rot. Bonds1

About 6-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

6-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110171305) has the molecular formula C11H8FN5 and a molecular weight of 229.22 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110171305
Molecular FormulaC11H8FN5
Molecular Weight229.22 g/mol
Exact Mass229.08
IUPAC Name6-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccccc2F)nc2[nH]ncc12
InChIInChI=1S/C11H8FN5/c12-8-4-2-1-3-6(8)10-15-9(13)7-5-14-17-11(7)16-10/h1-5H,(H3,13,14,15,16,17)
InChIKeyBIAPWCIIEWYTBQ-UHFFFAOYSA-N
XLogP1.74
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(2-fluorophenyl)quinazolin-4-amine
CID 64983634
6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63614303
5-fluoro-3-(2-fluorophenyl)quinolin-2-amine
CID 122688136
4-(2-fluorophenyl)-6-methyl-1,3,5-triazin-2-amine
CID 82469916
1-[(2,6-dichlorophenyl)methyl]-6-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110171308
3-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyrazin-2-amine
CID 10467579
4-(2-fluorophenyl)naphthalen-1-amine
CID 171396846
2-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 83864315
4-(2-fluorophenyl)-5-pyrimidin-2-yl-1H-pyrazol-3-amine
CID 114552623
5-(2-fluorophenyl)-1H-pyrazol-4-ol
CID 105437297
6-[diphenyl-(3-phenylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 90940883
N,2-bis(2-fluorophenyl)quinazolin-4-amine
CID 757185

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 110171305) is 6-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine is Nc1nc(-c2ccccc2F)nc2[nH]ncc12.
What is the InChIKey of 6-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BIAPWCIIEWYTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5/c12-8-4-2-1-3-6(8)10-15-9(13)7-5-14-17-11(7)16-10/h1-5H,(H3,13,14,15,16,17).
What are the key properties of 6-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
6-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 229.22 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110171305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).