1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine

C9H13N5 — CID 24864305

IUPAC1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1ncc2c(N)ncnc21
InChIInChI=1S/C9H13N5/c1-9(2,3)14-8-6(4-13-14)7(10)11-5-12-8/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyVAJUWSKUVHLSQA-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.16
Rot. Bonds

About 1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24864305) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24864305
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1ncc2c(N)ncnc21
InChIInChI=1S/C9H13N5/c1-9(2,3)14-8-6(4-13-14)7(10)11-5-12-8/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyVAJUWSKUVHLSQA-UHFFFAOYSA-N
XLogP1.16
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24864305) is 1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)(C)n1ncc2c(N)ncnc21.
What is the InChIKey of 1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is VAJUWSKUVHLSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-9(2,3)14-8-6(4-13-14)7(10)11-5-12-8/h4-5H,1-3H3,(H2,10,11,12).
What are the key properties of 1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 191.24 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24864305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).