3-(4-ethoxy-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C17H21N5O2 — CID 24905282

IUPAC3-(4-ethoxy-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1OC
InChIInChI=1S/C17H21N5O2/c1-5-24-12-7-6-11(8-13(12)23-4)15-14-16(18)19-9-20-17(14)22(21-15)10(2)3/h6-10H,5H2,1-4H3,(H2,18,19,20)
InChIKeyAMERZUAKIAGPBA-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.06
Rot. Bonds5

About 3-(4-ethoxy-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(4-ethoxy-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905282) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905282
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1OC
InChIInChI=1S/C17H21N5O2/c1-5-24-12-7-6-11(8-13(12)23-4)15-14-16(18)19-9-20-17(14)22(21-15)10(2)3/h6-10H,5H2,1-4H3,(H2,18,19,20)
InChIKeyAMERZUAKIAGPBA-UHFFFAOYSA-N
XLogP3.06
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905282) is 3-(4-ethoxy-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CCOc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AMERZUAKIAGPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-5-24-12-7-6-11(8-13(12)23-4)15-14-16(18)19-9-20-17(14)22(21-15)10(2)3/h6-10H,5H2,1-4H3,(H2,18,19,20).
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-ethoxy-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 327.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).