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

C7H6BrF2N5 — CID 175450467

IUPAC3-bromo-1-(2,2-difluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Br)nn2CC(F)F
InChIInChI=1S/C7H6BrF2N5/c8-5-4-6(11)12-2-13-7(4)15(14-5)1-3(9)10/h2-3H,1H2,(H2,11,12,13)
InChIKeyYVVCGJQZJFZHIM-UHFFFAOYSA-N
MW278.06 g/mol
LogP1.44
Rot. Bonds2

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

3-bromo-1-(2,2-difluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 175450467) has the molecular formula C7H6BrF2N5 and a molecular weight of 278.06 g/mol. Its IUPAC name is 3-bromo-1-(2,2-difluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-bromo-1-(2,2-difluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID175450467
Molecular FormulaC7H6BrF2N5
Molecular Weight278.06 g/mol
Exact Mass276.98
IUPAC Name3-bromo-1-(2,2-difluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Br)nn2CC(F)F
InChIInChI=1S/C7H6BrF2N5/c8-5-4-6(11)12-2-13-7(4)15(14-5)1-3(9)10/h2-3H,1H2,(H2,11,12,13)
InChIKeyYVVCGJQZJFZHIM-UHFFFAOYSA-N
XLogP1.44
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.06
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine
CID 340230
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
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-Bromo-1H-pyrazolo[3,4-d]pyrimidine
CID 53487991
1-(1,3-Difluoropropan-2-yl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
CID 58597176
3-bromo-N-(3,3,3-trifluoropropyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 148008552
3,6-Difluoro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 151638394

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2,2-difluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-bromo-1-(2,2-difluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 175450467) is 3-bromo-1-(2,2-difluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-bromo-1-(2,2-difluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-bromo-1-(2,2-difluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(Br)nn2CC(F)F.
What is the InChIKey of 3-bromo-1-(2,2-difluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YVVCGJQZJFZHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N5/c8-5-4-6(11)12-2-13-7(4)15(14-5)1-3(9)10/h2-3H,1H2,(H2,11,12,13).
What are the key properties of 3-bromo-1-(2,2-difluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-bromo-1-(2,2-difluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 278.06 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2,2-difluoroethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 175450467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).