3-bromo-1-(2-fluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C7H7BrFN5 — CID 175450533

IUPAC3-bromo-1-(2-fluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Br)nn2CCF
InChIInChI=1S/C7H7BrFN5/c8-5-4-6(10)11-3-12-7(4)14(13-5)2-1-9/h3H,1-2H2,(H2,10,11,12)
InChIKeyCSRCGPRKKAONGI-UHFFFAOYSA-N
MW260.07 g/mol
LogP1.14
Rot. Bonds2

About 3-bromo-1-(2-fluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine

3-bromo-1-(2-fluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 175450533) has the molecular formula C7H7BrFN5 and a molecular weight of 260.07 g/mol. Its IUPAC name is 3-bromo-1-(2-fluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-bromo-1-(2-fluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID175450533
Molecular FormulaC7H7BrFN5
Molecular Weight260.07 g/mol
Exact Mass258.99
IUPAC Name3-bromo-1-(2-fluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Br)nn2CCF
InChIInChI=1S/C7H7BrFN5/c8-5-4-6(10)11-3-12-7(4)14(13-5)2-1-9/h3H,1-2H2,(H2,10,11,12)
InChIKeyCSRCGPRKKAONGI-UHFFFAOYSA-N
XLogP1.14
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.07
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 94753
3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine
CID 340230
3-Bromo-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 340228
3-Bromo-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 12778934
3-Bromo-4-chloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine
CID 47003144
1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 57375998
3-Bromo-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 58597145
N-(2-aminoethyl)-3-bromo-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 50989011
4-bromo-1-methyl-1H-pyrazolo(3,4-d)pyrimidine
CID 12778940
1H-Pyrazolo(3,4-d)pyrimidine, 3-bromo-4-hydrazinyl-1-methyl-
CID 50989012
4-Bromo-1H-pyrazolo[3,4-d]pyrimidine
CID 12778939
3-iodo-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905337

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-fluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-bromo-1-(2-fluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 175450533) is 3-bromo-1-(2-fluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-bromo-1-(2-fluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-bromo-1-(2-fluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(Br)nn2CCF.
What is the InChIKey of 3-bromo-1-(2-fluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CSRCGPRKKAONGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFN5/c8-5-4-6(10)11-3-12-7(4)14(13-5)2-1-9/h3H,1-2H2,(H2,10,11,12).
What are the key properties of 3-bromo-1-(2-fluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-bromo-1-(2-fluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 260.07 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-fluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 175450533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).