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

C16H25N5 — CID 133480522

IUPAC1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(CCC1CC1)Nc1ncnc2c1cnn2C(C)(C)C
InChIInChI=1S/C16H25N5/c1-11(5-6-12-7-8-12)20-14-13-9-19-21(16(2,3)4)15(13)18-10-17-14/h9-12H,5-8H2,1-4H3,(H,17,18,20)
InChIKeyDEGCQPZLOAUJMY-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.57
Rot. Bonds5

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

1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 133480522) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID133480522
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(CCC1CC1)Nc1ncnc2c1cnn2C(C)(C)C
InChIInChI=1S/C16H25N5/c1-11(5-6-12-7-8-12)20-14-13-9-19-21(16(2,3)4)15(13)18-10-17-14/h9-12H,5-8H2,1-4H3,(H,17,18,20)
InChIKeyDEGCQPZLOAUJMY-UHFFFAOYSA-N
XLogP3.57
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-N-(4-cyclopropylbutan-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 133480522) is 1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(CCC1CC1)Nc1ncnc2c1cnn2C(C)(C)C.
What is the InChIKey of 1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DEGCQPZLOAUJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-11(5-6-12-7-8-12)20-14-13-9-19-21(16(2,3)4)15(13)18-10-17-14/h9-12H,5-8H2,1-4H3,(H,17,18,20).
What are the key properties of 1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133480522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).