3-[3-(2-methoxyethoxymethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C15H17N5O2 — CID 136560773

IUPAC3-[3-(2-methoxyethoxymethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCCOCc1cccc(-c2[nH]nc3ncnc(N)c23)c1
InChIInChI=1S/C15H17N5O2/c1-21-5-6-22-8-10-3-2-4-11(7-10)13-12-14(16)17-9-18-15(12)20-19-13/h2-4,7,9H,5-6,8H2,1H3,(H3,16,17,18,19,20)
InChIKeyYDDIQWKSYJIYIU-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.77
Rot. Bonds6

About 3-[3-(2-methoxyethoxymethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-[3-(2-methoxyethoxymethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 136560773) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxymethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxymethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID136560773
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-[3-(2-methoxyethoxymethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCCOCc1cccc(-c2[nH]nc3ncnc(N)c23)c1
InChIInChI=1S/C15H17N5O2/c1-21-5-6-22-8-10-3-2-4-11(7-10)13-12-14(16)17-9-18-15(12)20-19-13/h2-4,7,9H,5-6,8H2,1H3,(H3,16,17,18,19,20)
InChIKeyYDDIQWKSYJIYIU-UHFFFAOYSA-N
XLogP1.77
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-(2-methoxyethoxymethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxymethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-[3-(2-methoxyethoxymethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 136560773) is 3-[3-(2-methoxyethoxymethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-[3-(2-methoxyethoxymethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-[3-(2-methoxyethoxymethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine is COCCOCc1cccc(-c2[nH]nc3ncnc(N)c23)c1.
What is the InChIKey of 3-[3-(2-methoxyethoxymethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is YDDIQWKSYJIYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-21-5-6-22-8-10-3-2-4-11(7-10)13-12-14(16)17-9-18-15(12)20-19-13/h2-4,7,9H,5-6,8H2,1H3,(H3,16,17,18,19,20).
What are the key properties of 3-[3-(2-methoxyethoxymethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-[3-(2-methoxyethoxymethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 299.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxymethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 136560773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).