N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C15H11N5 — CID 711496

IUPACN-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccc2cc(Nc3ncnc4[nH]ncc34)ccc2c1
InChIInChI=1S/C15H11N5/c1-2-4-11-7-12(6-5-10(11)3-1)19-14-13-8-18-20-15(13)17-9-16-14/h1-9H,(H2,16,17,18,19,20)
InChIKeyLWHDYNRRPBHYLP-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.25
Rot. Bonds2

About N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 711496) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID711496
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC NameN-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccc2cc(Nc3ncnc4[nH]ncc34)ccc2c1
InChIInChI=1S/C15H11N5/c1-2-4-11-7-12(6-5-10(11)3-1)19-14-13-8-18-20-15(13)17-9-16-14/h1-9H,(H2,16,17,18,19,20)
InChIKeyLWHDYNRRPBHYLP-UHFFFAOYSA-N
XLogP3.25
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 711496) is N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is c1ccc2cc(Nc3ncnc4[nH]ncc34)ccc2c1.
What is the InChIKey of N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is LWHDYNRRPBHYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c1-2-4-11-7-12(6-5-10(11)3-1)19-14-13-8-18-20-15(13)17-9-16-14/h1-9H,(H2,16,17,18,19,20).
What are the key properties of N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 261.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 711496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).