N-tert-butyl-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C17H21N5 — CID 41476082

IUPACN-tert-butyl-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-n2ncc3c(NC(C)(C)C)ncnc32)cc1C
InChIInChI=1S/C17H21N5/c1-11-6-7-13(8-12(11)2)22-16-14(9-20-22)15(18-10-19-16)21-17(3,4)5/h6-10H,1-5H3,(H,18,19,21)
InChIKeyJIYWOFIHERIBDF-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.64
Rot. Bonds2

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

N-tert-butyl-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 41476082) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-tert-butyl-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID41476082
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC NameN-tert-butyl-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(-n2ncc3c(NC(C)(C)C)ncnc32)cc1C
InChIInChI=1S/C17H21N5/c1-11-6-7-13(8-12(11)2)22-16-14(9-20-22)15(18-10-19-16)21-17(3,4)5/h6-10H,1-5H3,(H,18,19,21)
InChIKeyJIYWOFIHERIBDF-UHFFFAOYSA-N
XLogP3.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 41476082) is N-tert-butyl-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(-n2ncc3c(NC(C)(C)C)ncnc32)cc1C.
What is the InChIKey of N-tert-butyl-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JIYWOFIHERIBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-11-6-7-13(8-12(11)2)22-16-14(9-20-22)15(18-10-19-16)21-17(3,4)5/h6-10H,1-5H3,(H,18,19,21).
What are the key properties of N-tert-butyl-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-tert-butyl-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 295.39 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 41476082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).