N-(4-bromophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C11H8BrN5 — CID 932209

IUPACN-(4-bromophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESBrc1ccc(Nc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C11H8BrN5/c12-7-1-3-8(4-2-7)16-10-9-5-15-17-11(9)14-6-13-10/h1-6H,(H2,13,14,15,16,17)
InChIKeyUNDUUEIHNHSVGI-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.86
Rot. Bonds2

About N-(4-bromophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-(4-bromophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 932209) has the molecular formula C11H8BrN5 and a molecular weight of 290.12 g/mol. Its IUPAC name is N-(4-bromophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID932209
Molecular FormulaC11H8BrN5
Molecular Weight290.12 g/mol
Exact Mass289.00
IUPAC NameN-(4-bromophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESBrc1ccc(Nc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C11H8BrN5/c12-7-1-3-8(4-2-7)16-10-9-5-15-17-11(9)14-6-13-10/h1-6H,(H2,13,14,15,16,17)
InChIKeyUNDUUEIHNHSVGI-UHFFFAOYSA-N
XLogP2.86
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-bromophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 932209) is N-(4-bromophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Brc1ccc(Nc2ncnc3[nH]ncc23)cc1.
What is the InChIKey of N-(4-bromophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is UNDUUEIHNHSVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5/c12-7-1-3-8(4-2-7)16-10-9-5-15-17-11(9)14-6-13-10/h1-6H,(H2,13,14,15,16,17).
What are the key properties of N-(4-bromophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-(4-bromophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 290.12 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 932209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).