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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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).