1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine

C13H12BrN5 — CID 63022262

IUPAC1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1ncnc2c1cnn2-c1ccc(Br)cc1
InChIInChI=1S/C13H12BrN5/c1-2-15-12-11-7-18-19(13(11)17-8-16-12)10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyRKXZPJSTEAEVPD-UHFFFAOYSA-N
MW318.18 g/mol
LogP3.01
Rot. Bonds3

About 1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine

1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63022262) has the molecular formula C13H12BrN5 and a molecular weight of 318.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63022262
Molecular FormulaC13H12BrN5
Molecular Weight318.18 g/mol
Exact Mass317.03
IUPAC Name1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCNc1ncnc2c1cnn2-c1ccc(Br)cc1
InChIInChI=1S/C13H12BrN5/c1-2-15-12-11-7-18-19(13(11)17-8-16-12)10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyRKXZPJSTEAEVPD-UHFFFAOYSA-N
XLogP3.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-N-butan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432137
N-ethyl-1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63022609
N-ethyl-1-pyridazin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103294424
1-(3-bromophenyl)-N-butylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432149
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
CID 6953713
1-(4-bromo-2-methylphenyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 104508918
1-(4-fluorophenyl)-N-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 7205324
N'-[1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 82191539
N'-[1-(4-ethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]propane-1,3-diamine
CID 82191658
(2R)-1-[[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
CID 7205599
N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 43215057

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 63022262) is 1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine is CCNc1ncnc2c1cnn2-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RKXZPJSTEAEVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5/c1-2-15-12-11-7-18-19(13(11)17-8-16-12)10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H,15,16,17).
What are the key properties of 1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 318.18 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-ethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63022262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).