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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-butan-2-yl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 51476762
N-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017606
2-[2-[[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 17017577
1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82192765
N-[(2-chlorophenyl)methyl]-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017563
1-(3,4-dimethylphenyl)-N-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017608
N-(3,4-dimethylphenyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 7188731
1-(3,4-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 171351890
N'-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-methylbenzohydrazide
CID 17017587
(2S)-1-[[1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
CID 41476156
1-(3-chloro-4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 51476768
N-butyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 3704584

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).