6-ethyl-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidine

C17H20N4O2 — CID 123933773

IUPAC6-ethyl-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidine
SMILESCCc1ncc2cnn(Cc3cccc(OCCOC)c3)c2n1
InChIInChI=1S/C17H20N4O2/c1-3-16-18-10-14-11-19-21(17(14)20-16)12-13-5-4-6-15(9-13)23-8-7-22-2/h4-6,9-11H,3,7-8,12H2,1-2H3
InChIKeyPHMXUOLUUFQVMZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.46
Rot. Bonds7

About 6-ethyl-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidine

6-ethyl-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidine (PubChem CID 123933773) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-ethyl-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidine
PubChem CID123933773
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name6-ethyl-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidine
SMILESCCc1ncc2cnn(Cc3cccc(OCCOC)c3)c2n1
InChIInChI=1S/C17H20N4O2/c1-3-16-18-10-14-11-19-21(17(14)20-16)12-13-5-4-6-15(9-13)23-8-7-22-2/h4-6,9-11H,3,7-8,12H2,1-2H3
InChIKeyPHMXUOLUUFQVMZ-UHFFFAOYSA-N
XLogP2.46
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-ethyl-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidine (CID 123933773) is 6-ethyl-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-ethyl-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-ethyl-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidine is CCc1ncc2cnn(Cc3cccc(OCCOC)c3)c2n1.
What is the InChIKey of 6-ethyl-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The InChIKey is PHMXUOLUUFQVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-16-18-10-14-11-19-21(17(14)20-16)12-13-5-4-6-15(9-13)23-8-7-22-2/h4-6,9-11H,3,7-8,12H2,1-2H3.
What are the key properties of 6-ethyl-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
6-ethyl-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidine has a molecular weight of 312.37 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[[3-(2-methoxyethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 123933773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).