2-(5-ethyl-4-methyloxolan-2-yl)-4-methoxypyrazolo[3,4-d]pyrimidin-6-amine

C13H19N5O2 — CID 59680667

IUPAC2-(5-ethyl-4-methyloxolan-2-yl)-4-methoxypyrazolo[3,4-d]pyrimidin-6-amine
SMILESCCC1OC(n2cc3c(OC)nc(N)nc3n2)CC1C
InChIInChI=1S/C13H19N5O2/c1-4-9-7(2)5-10(20-9)18-6-8-11(17-18)15-13(14)16-12(8)19-3/h6-7,9-10H,4-5H2,1-3H3,(H2,14,15,17)
InChIKeyJOWKKBNEAQRINJ-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.75
Rot. Bonds3

About 2-(5-ethyl-4-methyloxolan-2-yl)-4-methoxypyrazolo[3,4-d]pyrimidin-6-amine

2-(5-ethyl-4-methyloxolan-2-yl)-4-methoxypyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 59680667) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(5-ethyl-4-methyloxolan-2-yl)-4-methoxypyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name2-(5-ethyl-4-methyloxolan-2-yl)-4-methoxypyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID59680667
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name2-(5-ethyl-4-methyloxolan-2-yl)-4-methoxypyrazolo[3,4-d]pyrimidin-6-amine
SMILESCCC1OC(n2cc3c(OC)nc(N)nc3n2)CC1C
InChIInChI=1S/C13H19N5O2/c1-4-9-7(2)5-10(20-9)18-6-8-11(17-18)15-13(14)16-12(8)19-3/h6-7,9-10H,4-5H2,1-3H3,(H2,14,15,17)
InChIKeyJOWKKBNEAQRINJ-UHFFFAOYSA-N
XLogP1.75
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-4-methyloxolan-2-yl)-4-methoxypyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 2-(5-ethyl-4-methyloxolan-2-yl)-4-methoxypyrazolo[3,4-d]pyrimidin-6-amine (CID 59680667) is 2-(5-ethyl-4-methyloxolan-2-yl)-4-methoxypyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 2-(5-ethyl-4-methyloxolan-2-yl)-4-methoxypyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 2-(5-ethyl-4-methyloxolan-2-yl)-4-methoxypyrazolo[3,4-d]pyrimidin-6-amine is CCC1OC(n2cc3c(OC)nc(N)nc3n2)CC1C.
What is the InChIKey of 2-(5-ethyl-4-methyloxolan-2-yl)-4-methoxypyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is JOWKKBNEAQRINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-4-9-7(2)5-10(20-9)18-6-8-11(17-18)15-13(14)16-12(8)19-3/h6-7,9-10H,4-5H2,1-3H3,(H2,14,15,17).
What are the key properties of 2-(5-ethyl-4-methyloxolan-2-yl)-4-methoxypyrazolo[3,4-d]pyrimidin-6-amine?
2-(5-ethyl-4-methyloxolan-2-yl)-4-methoxypyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 277.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-4-methyloxolan-2-yl)-4-methoxypyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 59680667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).