3-(4-ethoxy-3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C14H15N5O2 — CID 24905292

IUPAC3-(4-ethoxy-3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(-c2[nH]nc3ncnc(N)c23)cc1OC
InChIInChI=1S/C14H15N5O2/c1-3-21-9-5-4-8(6-10(9)20-2)12-11-13(15)16-7-17-14(11)19-18-12/h4-7H,3H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyUVDQTDYLJGKKKD-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.01
Rot. Bonds4

About 3-(4-ethoxy-3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-(4-ethoxy-3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905292) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905292
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(-c2[nH]nc3ncnc(N)c23)cc1OC
InChIInChI=1S/C14H15N5O2/c1-3-21-9-5-4-8(6-10(9)20-2)12-11-13(15)16-7-17-14(11)19-18-12/h4-7H,3H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyUVDQTDYLJGKKKD-UHFFFAOYSA-N
XLogP2.01
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(4-ethoxy-3-methoxyphenyl)-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-(4-ethoxy-3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 24905292) is 3-(4-ethoxy-3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is CCOc1ccc(-c2[nH]nc3ncnc(N)c23)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UVDQTDYLJGKKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-3-21-9-5-4-8(6-10(9)20-2)12-11-13(15)16-7-17-14(11)19-18-12/h4-7H,3H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-ethoxy-3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 285.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).