4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine

C8H10N4O — CID 89419138

IUPAC4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCCOc1ncnc2n[nH]c(C)c12
InChIInChI=1S/C8H10N4O/c1-3-13-8-6-5(2)11-12-7(6)9-4-10-8/h4H,3H2,1-2H3,(H,9,10,11,12)
InChIKeyJBYXRTRAKIGUAB-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.06
Rot. Bonds2

About 4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine

4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 89419138) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID89419138
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCCOc1ncnc2n[nH]c(C)c12
InChIInChI=1S/C8H10N4O/c1-3-13-8-6-5(2)11-12-7(6)9-4-10-8/h4H,3H2,1-2H3,(H,9,10,11,12)
InChIKeyJBYXRTRAKIGUAB-UHFFFAOYSA-N
XLogP1.06
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine (CID 89419138) is 4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine is CCOc1ncnc2n[nH]c(C)c12.
What is the InChIKey of 4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is JBYXRTRAKIGUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-3-13-8-6-5(2)11-12-7(6)9-4-10-8/h4H,3H2,1-2H3,(H,9,10,11,12).
What are the key properties of 4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine?
4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 178.19 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 89419138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).