3-ethoxy-6-ethyl-1-methoxypyrazolo[3,4-d]pyrimidin-4-amine

C10H15N5O2 — CID 67144528

IUPAC3-ethoxy-6-ethyl-1-methoxypyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1nn(OC)c2nc(CC)nc(N)c12
InChIInChI=1S/C10H15N5O2/c1-4-6-12-8(11)7-9(13-6)15(16-3)14-10(7)17-5-2/h4-5H2,1-3H3,(H2,11,12,13)
InChIKeyUQGJHJNQVYZHMJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.43
Rot. Bonds4

About 3-ethoxy-6-ethyl-1-methoxypyrazolo[3,4-d]pyrimidin-4-amine

3-ethoxy-6-ethyl-1-methoxypyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 67144528) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-ethoxy-6-ethyl-1-methoxypyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-ethoxy-6-ethyl-1-methoxypyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID67144528
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name3-ethoxy-6-ethyl-1-methoxypyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1nn(OC)c2nc(CC)nc(N)c12
InChIInChI=1S/C10H15N5O2/c1-4-6-12-8(11)7-9(13-6)15(16-3)14-10(7)17-5-2/h4-5H2,1-3H3,(H2,11,12,13)
InChIKeyUQGJHJNQVYZHMJ-UHFFFAOYSA-N
XLogP0.43
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6-ethyl-1-methoxypyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-ethoxy-6-ethyl-1-methoxypyrazolo[3,4-d]pyrimidin-4-amine (CID 67144528) is 3-ethoxy-6-ethyl-1-methoxypyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-ethoxy-6-ethyl-1-methoxypyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-ethoxy-6-ethyl-1-methoxypyrazolo[3,4-d]pyrimidin-4-amine is CCOc1nn(OC)c2nc(CC)nc(N)c12.
What is the InChIKey of 3-ethoxy-6-ethyl-1-methoxypyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UQGJHJNQVYZHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-4-6-12-8(11)7-9(13-6)15(16-3)14-10(7)17-5-2/h4-5H2,1-3H3,(H2,11,12,13).
What are the key properties of 3-ethoxy-6-ethyl-1-methoxypyrazolo[3,4-d]pyrimidin-4-amine?
3-ethoxy-6-ethyl-1-methoxypyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 237.26 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6-ethyl-1-methoxypyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 67144528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).