3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C9H13N5 — CID 55271281

IUPAC3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)c1[nH]nc2ncnc(N)c12
InChIInChI=1S/C9H13N5/c1-9(2,3)6-5-7(10)11-4-12-8(5)14-13-6/h4H,1-3H3,(H3,10,11,12,13,14)
InChIKeyQEPKNUBQWQMCKR-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.23
Rot. Bonds

About 3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 55271281) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID55271281
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)c1[nH]nc2ncnc(N)c12
InChIInChI=1S/C9H13N5/c1-9(2,3)6-5-7(10)11-4-12-8(5)14-13-6/h4H,1-3H3,(H3,10,11,12,13,14)
InChIKeyQEPKNUBQWQMCKR-UHFFFAOYSA-N
XLogP1.23
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 55271281) is 3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)(C)c1[nH]nc2ncnc(N)c12.
What is the InChIKey of 3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QEPKNUBQWQMCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-9(2,3)6-5-7(10)11-4-12-8(5)14-13-6/h4H,1-3H3,(H3,10,11,12,13,14).
What are the key properties of 3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 191.24 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 55271281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).