3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C7H9N5 — CID 89154211

IUPAC3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1[nH]nc2ncnc(N)c12
InChIInChI=1S/C7H9N5/c1-2-4-5-6(8)9-3-10-7(5)12-11-4/h3H,2H2,1H3,(H3,8,9,10,11,12)
InChIKeyMYOSJPRSRNFNSQ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.50
Rot. Bonds1

About 3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 89154211) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID89154211
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1[nH]nc2ncnc(N)c12
InChIInChI=1S/C7H9N5/c1-2-4-5-6(8)9-3-10-7(5)12-11-4/h3H,2H2,1H3,(H3,8,9,10,11,12)
InChIKeyMYOSJPRSRNFNSQ-UHFFFAOYSA-N
XLogP0.50
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 89154211) is 3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine is CCc1[nH]nc2ncnc(N)c12.
What is the InChIKey of 3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MYOSJPRSRNFNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-2-4-5-6(8)9-3-10-7(5)12-11-4/h3H,2H2,1H3,(H3,8,9,10,11,12).
What are the key properties of 3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 163.18 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 89154211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).