N-(2-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C11H8FN5 — CID 42226831

IUPACN-(2-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccccc1Nc1ncnc2[nH]ncc12
InChIInChI=1S/C11H8FN5/c12-8-3-1-2-4-9(8)16-10-7-5-15-17-11(7)14-6-13-10/h1-6H,(H2,13,14,15,16,17)
InChIKeyMEYYGZBRFGDWPZ-UHFFFAOYSA-N
MW229.22 g/mol
LogP2.24
Rot. Bonds2

About N-(2-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-(2-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 42226831) has the molecular formula C11H8FN5 and a molecular weight of 229.22 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID42226831
Molecular FormulaC11H8FN5
Molecular Weight229.22 g/mol
Exact Mass229.08
IUPAC NameN-(2-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccccc1Nc1ncnc2[nH]ncc12
InChIInChI=1S/C11H8FN5/c12-8-3-1-2-4-9(8)16-10-7-5-15-17-11(7)14-6-13-10/h1-6H,(H2,13,14,15,16,17)
InChIKeyMEYYGZBRFGDWPZ-UHFFFAOYSA-N
XLogP2.24
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 42226831) is N-(2-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Fc1ccccc1Nc1ncnc2[nH]ncc12.
What is the InChIKey of N-(2-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is MEYYGZBRFGDWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5/c12-8-3-1-2-4-9(8)16-10-7-5-15-17-11(7)14-6-13-10/h1-6H,(H2,13,14,15,16,17).
What are the key properties of N-(2-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-(2-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 229.22 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 42226831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).