4-(4-bromophenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine

C17H12BrN5 — CID 90670742

IUPAC4-(4-bromophenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
SMILESNc1[nH]nc2nc(-c3ccccc3)nc(-c3ccc(Br)cc3)c12
InChIInChI=1S/C17H12BrN5/c18-12-8-6-10(7-9-12)14-13-15(19)22-23-17(13)21-16(20-14)11-4-2-1-3-5-11/h1-9H,(H3,19,20,21,22,23)
InChIKeyQWXYJSHOLFPGFK-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.03
Rot. Bonds2

About 4-(4-bromophenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine

4-(4-bromophenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine (PubChem CID 90670742) has the molecular formula C17H12BrN5 and a molecular weight of 366.22 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
PubChem CID90670742
Molecular FormulaC17H12BrN5
Molecular Weight366.22 g/mol
Exact Mass365.03
IUPAC Name4-(4-bromophenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
SMILESNc1[nH]nc2nc(-c3ccccc3)nc(-c3ccc(Br)cc3)c12
InChIInChI=1S/C17H12BrN5/c18-12-8-6-10(7-9-12)14-13-15(19)22-23-17(13)21-16(20-14)11-4-2-1-3-5-11/h1-9H,(H3,19,20,21,22,23)
InChIKeyQWXYJSHOLFPGFK-UHFFFAOYSA-N
XLogP4.03
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 821854
N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide
CID 6539578
3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 14638904
3-(3-Bromobenzyl)-1-Tert-Butyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 24865027
N-{5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}-1-methylpiperidine-4-carboxamide
CID 6539581
6-(4-Bromophenyl)-5-Phenyl-7h-Pyrrolo[2,3-D]pyrimidine-2,4-Diamine
CID 86580363
5-(4-Bromophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1293752
2,5-Dimethyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 684860
4,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 2048804
1-(tert-butyl)-3,6-bis(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 2769313
2-(4-Bromo-phenyl)-5-butyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 10156654
2-(4-Bromo-phenyl)-5-butyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 135738639

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The IUPAC name of 4-(4-bromophenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine (CID 90670742) is 4-(4-bromophenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine.
What is the SMILES notation for 4-(4-bromophenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The canonical SMILES for 4-(4-bromophenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine is Nc1[nH]nc2nc(-c3ccccc3)nc(-c3ccc(Br)cc3)c12.
What is the InChIKey of 4-(4-bromophenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
The InChIKey is QWXYJSHOLFPGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5/c18-12-8-6-10(7-9-12)14-13-15(19)22-23-17(13)21-16(20-14)11-4-2-1-3-5-11/h1-9H,(H3,19,20,21,22,23).
What are the key properties of 4-(4-bromophenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine?
4-(4-bromophenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine has a molecular weight of 366.22 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine is sourced from PubChem (CID 90670742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).