3-naphthalen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C15H11N5 — CID 11543481

IUPAC3-naphthalen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C15H11N5/c16-14-12-13(19-20-15(12)18-8-17-14)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,16,17,18,19,20)
InChIKeyLQRSFPTVTRTRMP-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.76
Rot. Bonds1

About 3-naphthalen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-naphthalen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 11543481) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-naphthalen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-naphthalen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID11543481
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name3-naphthalen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2n[nH]c(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C15H11N5/c16-14-12-13(19-20-15(12)18-8-17-14)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,16,17,18,19,20)
InChIKeyLQRSFPTVTRTRMP-UHFFFAOYSA-N
XLogP2.76
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-naphthalen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 11543481) is 3-naphthalen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-naphthalen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-naphthalen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2n[nH]c(-c3ccc4ccccc4c3)c12.
What is the InChIKey of 3-naphthalen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LQRSFPTVTRTRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c16-14-12-13(19-20-15(12)18-8-17-14)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,16,17,18,19,20).
What are the key properties of 3-naphthalen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-naphthalen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 261.29 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11543481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).