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

C10H12N6 — CID 59633834

IUPAC4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbonitrile
SMILESCC(C)(C)n1nc(C#N)c2c(N)ncnc21
InChIInChI=1S/C10H12N6/c1-10(2,3)16-9-7(6(4-11)15-16)8(12)13-5-14-9/h5H,1-3H3,(H2,12,13,14)
InChIKeyORNLPAVBFVWWRQ-UHFFFAOYSA-N
MW216.25 g/mol
LogP1.04
Rot. Bonds

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

4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbonitrile (PubChem CID 59633834) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbonitrile
PubChem CID59633834
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbonitrile
SMILESCC(C)(C)n1nc(C#N)c2c(N)ncnc21
InChIInChI=1S/C10H12N6/c1-10(2,3)16-9-7(6(4-11)15-16)8(12)13-5-14-9/h5H,1-3H3,(H2,12,13,14)
InChIKeyORNLPAVBFVWWRQ-UHFFFAOYSA-N
XLogP1.04
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbonitrile 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-carbonitrile?
The IUPAC name of 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbonitrile (CID 59633834) is 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbonitrile.
What is the SMILES notation for 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbonitrile?
The canonical SMILES for 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbonitrile is CC(C)(C)n1nc(C#N)c2c(N)ncnc21.
What is the InChIKey of 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbonitrile?
The InChIKey is ORNLPAVBFVWWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c1-10(2,3)16-9-7(6(4-11)15-16)8(12)13-5-14-9/h5H,1-3H3,(H2,12,13,14).
What are the key properties of 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbonitrile?
4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carbonitrile has a molecular weight of 216.25 g/mol, XLogP of 1.04, 0 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-carbonitrile is sourced from PubChem (CID 59633834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).