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

C18H15N5O — CID 24905264

IUPAC3-(3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(-c3cccc(OCc4ccccc4)c3)c12
InChIInChI=1S/C18H15N5O/c19-17-15-16(22-23-18(15)21-11-20-17)13-7-4-8-14(9-13)24-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H3,19,20,21,22,23)
InChIKeyQZYQUDYDLUIEAI-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.18
Rot. Bonds4

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

3-(3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905264) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-(3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905264
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name3-(3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(-c3cccc(OCc4ccccc4)c3)c12
InChIInChI=1S/C18H15N5O/c19-17-15-16(22-23-18(15)21-11-20-17)13-7-4-8-14(9-13)24-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H3,19,20,21,22,23)
InChIKeyQZYQUDYDLUIEAI-UHFFFAOYSA-N
XLogP3.18
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 24905264) is 3-(3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2n[nH]c(-c3cccc(OCc4ccccc4)c3)c12.
What is the InChIKey of 3-(3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QZYQUDYDLUIEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c19-17-15-16(22-23-18(15)21-11-20-17)13-7-4-8-14(9-13)24-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H3,19,20,21,22,23).
What are the key properties of 3-(3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-(3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 317.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylmethoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).