1-tert-butyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine

C10H15N5O — CID 59633537

IUPAC1-tert-butyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1nn(C(C)(C)C)c2ncnc(N)c12
InChIInChI=1S/C10H15N5O/c1-10(2,3)15-8-6(9(14-15)16-4)7(11)12-5-13-8/h5H,1-4H3,(H2,11,12,13)
InChIKeyUEXMKWFIUJLMLI-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.17
Rot. Bonds1

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

1-tert-butyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 59633537) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-tert-butyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID59633537
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-tert-butyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1nn(C(C)(C)C)c2ncnc(N)c12
InChIInChI=1S/C10H15N5O/c1-10(2,3)15-8-6(9(14-15)16-4)7(11)12-5-13-8/h5H,1-4H3,(H2,11,12,13)
InChIKeyUEXMKWFIUJLMLI-UHFFFAOYSA-N
XLogP1.17
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine (CID 59633537) is 1-tert-butyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine is COc1nn(C(C)(C)C)c2ncnc(N)c12.
What is the InChIKey of 1-tert-butyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UEXMKWFIUJLMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-10(2,3)15-8-6(9(14-15)16-4)7(11)12-5-13-8/h5H,1-4H3,(H2,11,12,13).
What are the key properties of 1-tert-butyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 221.26 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methoxypyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59633537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).