3-(4-ethoxy-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C15H17N5O2 — CID 166787512

IUPAC3-(4-ethoxy-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(-c2nn(C)c3ncnc(N)c23)cc1OC
InChIInChI=1S/C15H17N5O2/c1-4-22-10-6-5-9(7-11(10)21-3)13-12-14(16)17-8-18-15(12)20(2)19-13/h5-8H,4H2,1-3H3,(H2,16,17,18)
InChIKeyPTVRKNQSZZJVSI-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.02
Rot. Bonds4

About 3-(4-ethoxy-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

3-(4-ethoxy-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 166787512) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID166787512
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(-c2nn(C)c3ncnc(N)c23)cc1OC
InChIInChI=1S/C15H17N5O2/c1-4-22-10-6-5-9(7-11(10)21-3)13-12-14(16)17-8-18-15(12)20(2)19-13/h5-8H,4H2,1-3H3,(H2,16,17,18)
InChIKeyPTVRKNQSZZJVSI-UHFFFAOYSA-N
XLogP2.02
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.02
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-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 166787512) is 3-(4-ethoxy-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCOc1ccc(-c2nn(C)c3ncnc(N)c23)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PTVRKNQSZZJVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-4-22-10-6-5-9(7-11(10)21-3)13-12-14(16)17-8-18-15(12)20(2)19-13/h5-8H,4H2,1-3H3,(H2,16,17,18).
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-ethoxy-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 299.33 g/mol, XLogP of 2.02, 4 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-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 166787512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).