3-ethoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C7H9N5O — CID 67034454

IUPAC3-ethoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1n[nH]c2ncnc(N)c12
InChIInChI=1S/C7H9N5O/c1-2-13-7-4-5(8)9-3-10-6(4)11-12-7/h3H,2H2,1H3,(H3,8,9,10,11,12)
InChIKeyWTCMHYKMFWOYQI-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.33
Rot. Bonds2

About 3-ethoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine

3-ethoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 67034454) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-ethoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-ethoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID67034454
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name3-ethoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1n[nH]c2ncnc(N)c12
InChIInChI=1S/C7H9N5O/c1-2-13-7-4-5(8)9-3-10-6(4)11-12-7/h3H,2H2,1H3,(H3,8,9,10,11,12)
InChIKeyWTCMHYKMFWOYQI-UHFFFAOYSA-N
XLogP0.33
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-ethoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 67034454) is 3-ethoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-ethoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-ethoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine is CCOc1n[nH]c2ncnc(N)c12.
What is the InChIKey of 3-ethoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WTCMHYKMFWOYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-2-13-7-4-5(8)9-3-10-6(4)11-12-7/h3H,2H2,1H3,(H3,8,9,10,11,12).
What are the key properties of 3-ethoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-ethoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 179.18 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 67034454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).