4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde

C10H13N5O — CID 59633654

IUPAC4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde
SMILESCC(C)(C)n1nc(C=O)c2c(N)ncnc21
InChIInChI=1S/C10H13N5O/c1-10(2,3)15-9-7(6(4-16)14-15)8(11)12-5-13-9/h4-5H,1-3H3,(H2,11,12,13)
InChIKeyZOQYGDZCSKQKMG-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.98
Rot. Bonds1

About 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde

4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde (PubChem CID 59633654) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde
PubChem CID59633654
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde
SMILESCC(C)(C)n1nc(C=O)c2c(N)ncnc21
InChIInChI=1S/C10H13N5O/c1-10(2,3)15-9-7(6(4-16)14-15)8(11)12-5-13-9/h4-5H,1-3H3,(H2,11,12,13)
InChIKeyZOQYGDZCSKQKMG-UHFFFAOYSA-N
XLogP0.98
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde 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 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde?
The IUPAC name of 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde (CID 59633654) is 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde?
The canonical SMILES for 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde is CC(C)(C)n1nc(C=O)c2c(N)ncnc21.
What is the InChIKey of 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde?
The InChIKey is ZOQYGDZCSKQKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-10(2,3)15-9-7(6(4-16)14-15)8(11)12-5-13-9/h4-5H,1-3H3,(H2,11,12,13).
What are the key properties of 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde?
4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde has a molecular weight of 219.25 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 59633654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).