1-tert-butyl-3-(4-fluorophenyl)-N,N-dimethylpyrazolo[5,4-d]pyrimidin-4-amine

C17H20FN5 — CID 24866803

IUPAC1-tert-butyl-3-(4-fluorophenyl)-N,N-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(C)c1ncnc2c1c(-c1ccc(F)cc1)nn2C(C)(C)C
InChIInChI=1S/C17H20FN5/c1-17(2,3)23-16-13(15(22(4)5)19-10-20-16)14(21-23)11-6-8-12(18)9-7-11/h6-10H,1-5H3
InChIKeyDVBLQESYHYGOEG-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.45
Rot. Bonds2

About 1-tert-butyl-3-(4-fluorophenyl)-N,N-dimethylpyrazolo[5,4-d]pyrimidin-4-amine

1-tert-butyl-3-(4-fluorophenyl)-N,N-dimethylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 24866803) has the molecular formula C17H20FN5 and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-fluorophenyl)-N,N-dimethylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-(4-fluorophenyl)-N,N-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID24866803
Molecular FormulaC17H20FN5
Molecular Weight313.38 g/mol
Exact Mass313.17
IUPAC Name1-tert-butyl-3-(4-fluorophenyl)-N,N-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(C)c1ncnc2c1c(-c1ccc(F)cc1)nn2C(C)(C)C
InChIInChI=1S/C17H20FN5/c1-17(2,3)23-16-13(15(22(4)5)19-10-20-16)14(21-23)11-6-8-12(18)9-7-11/h6-10H,1-5H3
InChIKeyDVBLQESYHYGOEG-UHFFFAOYSA-N
XLogP3.45
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-(5-fluoro-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 137254484
N-[1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]acetamide
CID 1471842
1-tert-butyl-3-(1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 152742610
1-tert-butyl-3-(6-methylnaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 121242363
1-tert-butyl-3-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866969
5-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 171614492
1-tert-butyl-N-methyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162651954
1-tert-butyl-3-(2,3-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633769
1-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrobromide
CID 56602612
3-iodo-N,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine
CID 135372917
1-tert-butyl-4-chloro-5-ethyl-3-(4-methylphenyl)pyrazolo[3,4-b]pyridine
CID 59633696
N-[1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide
CID 1489654

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-fluorophenyl)-N,N-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-3-(4-fluorophenyl)-N,N-dimethylpyrazolo[5,4-d]pyrimidin-4-amine (CID 24866803) is 1-tert-butyl-3-(4-fluorophenyl)-N,N-dimethylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-(4-fluorophenyl)-N,N-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-3-(4-fluorophenyl)-N,N-dimethylpyrazolo[5,4-d]pyrimidin-4-amine is CN(C)c1ncnc2c1c(-c1ccc(F)cc1)nn2C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-(4-fluorophenyl)-N,N-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is DVBLQESYHYGOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5/c1-17(2,3)23-16-13(15(22(4)5)19-10-20-16)14(21-23)11-6-8-12(18)9-7-11/h6-10H,1-5H3.
What are the key properties of 1-tert-butyl-3-(4-fluorophenyl)-N,N-dimethylpyrazolo[5,4-d]pyrimidin-4-amine?
1-tert-butyl-3-(4-fluorophenyl)-N,N-dimethylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 313.38 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-fluorophenyl)-N,N-dimethylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24866803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).