4-ethoxy-1-ethylpyrazolo[5,4-d]pyrimidine

C9H12N4O — CID 14188902

IUPAC4-ethoxy-1-ethylpyrazolo[5,4-d]pyrimidine
SMILESCCOc1ncnc2c1cnn2CC
InChIInChI=1S/C9H12N4O/c1-3-13-8-7(5-12-13)9(14-4-2)11-6-10-8/h5-6H,3-4H2,1-2H3
InChIKeyYEKRHYDGGPTROA-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.24
Rot. Bonds3

About 4-ethoxy-1-ethylpyrazolo[5,4-d]pyrimidine

4-ethoxy-1-ethylpyrazolo[5,4-d]pyrimidine (PubChem CID 14188902) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-ethoxy-1-ethylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-ethoxy-1-ethylpyrazolo[5,4-d]pyrimidine
PubChem CID14188902
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name4-ethoxy-1-ethylpyrazolo[5,4-d]pyrimidine
SMILESCCOc1ncnc2c1cnn2CC
InChIInChI=1S/C9H12N4O/c1-3-13-8-7(5-12-13)9(14-4-2)11-6-10-8/h5-6H,3-4H2,1-2H3
InChIKeyYEKRHYDGGPTROA-UHFFFAOYSA-N
XLogP1.24
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-1-methyl-1H-pyrazolo[3,4-D]pyrimidine
CID 219763
4,6-Diethoxy-1-methyl-1h-pyrazolo[3,4-d]pyrimidine
CID 227493
4-Ethoxy-6-pyrazol-1-ylpyrimidine
CID 10702836
4-methoxy-1H-pyrazolo[3,4-d]pyrimidine
CID 221096
4-(1-Methyl-4-propan-2-yloxypyrazolo[5,4-d]pyrimidin-6-yl)morpholine
CID 70702027
(2S)-3-[(4-methoxypyrazolo[3,4-d]pyrimidin-1-yl)methoxy]propane-1,2-diol
CID 491316
4-Methoxy-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11252197
1-tert-butyl-6-chloro-4-methoxy-1H-pyrazolo[3,4-d]pyrimidine
CID 122164253
6-Chloro-4-ethoxy-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidine
CID 177653087
3-(4-Methoxy-pyrazolo[3,4-d]pyrimidin-1-yl)-propionic acid
CID 21587660
4-methoxy-2-methyl-2H-pyrazolo[3,4-d]pyrimidine
CID 21587659
4-Methoxy-1-pent-4-ynylpyrazolo[5,4-d]pyrimidin-6-amine
CID 132389519

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-ethylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-ethoxy-1-ethylpyrazolo[5,4-d]pyrimidine (CID 14188902) is 4-ethoxy-1-ethylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-ethoxy-1-ethylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-ethoxy-1-ethylpyrazolo[5,4-d]pyrimidine is CCOc1ncnc2c1cnn2CC.
What is the InChIKey of 4-ethoxy-1-ethylpyrazolo[5,4-d]pyrimidine?
The InChIKey is YEKRHYDGGPTROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-3-13-8-7(5-12-13)9(14-4-2)11-6-10-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-ethoxy-1-ethylpyrazolo[5,4-d]pyrimidine?
4-ethoxy-1-ethylpyrazolo[5,4-d]pyrimidine has a molecular weight of 192.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-ethylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 14188902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).