3-methoxy-1-(2-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C11H17N5O — CID 166676708

IUPAC3-methoxy-1-(2-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(C)(C)n1nc(OC)c2c(N)ncnc21
InChIInChI=1S/C11H17N5O/c1-5-11(2,3)16-9-7(10(15-16)17-4)8(12)13-6-14-9/h6H,5H2,1-4H3,(H2,12,13,14)
InChIKeyKLHZLXRGCIXLDY-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.56
Rot. Bonds3

About 3-methoxy-1-(2-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

3-methoxy-1-(2-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 166676708) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-methoxy-1-(2-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methoxy-1-(2-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID166676708
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name3-methoxy-1-(2-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(C)(C)n1nc(OC)c2c(N)ncnc21
InChIInChI=1S/C11H17N5O/c1-5-11(2,3)16-9-7(10(15-16)17-4)8(12)13-6-14-9/h6H,5H2,1-4H3,(H2,12,13,14)
InChIKeyKLHZLXRGCIXLDY-UHFFFAOYSA-N
XLogP1.56
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methoxy-1-(2-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 166676708) is 3-methoxy-1-(2-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methoxy-1-(2-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methoxy-1-(2-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CCC(C)(C)n1nc(OC)c2c(N)ncnc21.
What is the InChIKey of 3-methoxy-1-(2-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KLHZLXRGCIXLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-5-11(2,3)16-9-7(10(15-16)17-4)8(12)13-6-14-9/h6H,5H2,1-4H3,(H2,12,13,14).
What are the key properties of 3-methoxy-1-(2-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-methoxy-1-(2-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 235.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 166676708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).