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

C10H13N5O2 — CID 59633468

IUPAC4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid
SMILESCC(C)(C)n1nc(C(=O)O)c2c(N)ncnc21
InChIInChI=1S/C10H13N5O2/c1-10(2,3)15-8-5(6(14-15)9(16)17)7(11)12-4-13-8/h4H,1-3H3,(H,16,17)(H2,11,12,13)
InChIKeyWGIUXTXOQGWSFI-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.86
Rot. Bonds1

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

4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid (PubChem CID 59633468) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid
PubChem CID59633468
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid
SMILESCC(C)(C)n1nc(C(=O)O)c2c(N)ncnc21
InChIInChI=1S/C10H13N5O2/c1-10(2,3)15-8-5(6(14-15)9(16)17)7(11)12-4-13-8/h4H,1-3H3,(H,16,17)(H2,11,12,13)
InChIKeyWGIUXTXOQGWSFI-UHFFFAOYSA-N
XLogP0.86
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid (CID 59633468) is 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid is CC(C)(C)n1nc(C(=O)O)c2c(N)ncnc21.
What is the InChIKey of 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid?
The InChIKey is WGIUXTXOQGWSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-10(2,3)15-8-5(6(14-15)9(16)17)7(11)12-4-13-8/h4H,1-3H3,(H,16,17)(H2,11,12,13).
What are the key properties of 4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid?
4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidine-3-carboxylic acid has a molecular weight of 235.25 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 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-carboxylic acid is sourced from PubChem (CID 59633468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).