1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine

C15H15F2N5O — CID 59633769

IUPAC1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(Oc2cccc(F)c2F)c2c(N)ncnc21
InChIInChI=1S/C15H15F2N5O/c1-15(2,3)22-13-10(12(18)19-7-20-13)14(21-22)23-9-6-4-5-8(16)11(9)17/h4-7H,1-3H3,(H2,18,19,20)
InChIKeyGXOFYCKXCLPITF-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.23
Rot. Bonds2

About 1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 59633769) has the molecular formula C15H15F2N5O and a molecular weight of 319.32 g/mol. Its IUPAC name is 1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID59633769
Molecular FormulaC15H15F2N5O
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(Oc2cccc(F)c2F)c2c(N)ncnc21
InChIInChI=1S/C15H15F2N5O/c1-15(2,3)22-13-10(12(18)19-7-20-13)14(21-22)23-9-6-4-5-8(16)11(9)17/h4-7H,1-3H3,(H2,18,19,20)
InChIKeyGXOFYCKXCLPITF-UHFFFAOYSA-N
XLogP3.23
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,4-Difluorophenoxy)-N-(Tetrahydro-2h-Pyran-4-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Amine
CID 44517636
1-Tert-Butyl-3-(3-Chlorophenoxy)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633812
6-(2,4-difluorophenoxy)-N-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 15953837
6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 54581691
4-[4-(2,4,5-Trifluoro-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 57964889
4-[4-(2-Fluoro-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 57964891
4-[4-(4-Fluoro-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 57965062
1-Tert-butyl-3-(3-methoxyphenoxy)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633491
1-(Tert-butyl)-3-(m-tolyloxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633616
3-(3-Bromophenoxy)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
CID 59633665
1-Tert-butyl-3-[3-(trifluoromethyl)phenoxy]pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633704
1-Tert-butyl-3-(3,5-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633728

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine (CID 59633769) is 1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)(C)n1nc(Oc2cccc(F)c2F)c2c(N)ncnc21.
What is the InChIKey of 1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GXOFYCKXCLPITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O/c1-15(2,3)22-13-10(12(18)19-7-20-13)14(21-22)23-9-6-4-5-8(16)11(9)17/h4-7H,1-3H3,(H2,18,19,20).
What are the key properties of 1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 319.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59633769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).