[4-(2-bromo-4-methoxyphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine

C12H11BrN6O2 — CID 104708879

IUPAC[4-(2-bromo-4-methoxyphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine
SMILESCOc1ccc(Oc2nc(NN)nc3[nH]ncc23)c(Br)c1
InChIInChI=1S/C12H11BrN6O2/c1-20-6-2-3-9(8(13)4-6)21-11-7-5-15-19-10(7)16-12(17-11)18-14/h2-5H,14H2,1H3,(H2,15,16,17,18,19)
InChIKeyVYTFNMAOKNNSLZ-UHFFFAOYSA-N
MW351.16 g/mol
LogP2.20
Rot. Bonds4

About [4-(2-bromo-4-methoxyphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine

[4-(2-bromo-4-methoxyphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine (PubChem CID 104708879) has the molecular formula C12H11BrN6O2 and a molecular weight of 351.16 g/mol. Its IUPAC name is [4-(2-bromo-4-methoxyphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-bromo-4-methoxyphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine
PubChem CID104708879
Molecular FormulaC12H11BrN6O2
Molecular Weight351.16 g/mol
Exact Mass350.01
IUPAC Name[4-(2-bromo-4-methoxyphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine
SMILESCOc1ccc(Oc2nc(NN)nc3[nH]ncc23)c(Br)c1
InChIInChI=1S/C12H11BrN6O2/c1-20-6-2-3-9(8(13)4-6)21-11-7-5-15-19-10(7)16-12(17-11)18-14/h2-5H,14H2,1H3,(H2,15,16,17,18,19)
InChIKeyVYTFNMAOKNNSLZ-UHFFFAOYSA-N
XLogP2.20
TPSA110.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 104708873
[4-(2-fluoro-3-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine
CID 107662924
4-(2-bromo-4-methoxyphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 104708791
4-(2-bromo-4-methoxyphenoxy)quinazolin-2-amine
CID 104708851
[6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 104708877
[4-[3-(2-methoxyethoxy)propoxy]-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine
CID 103408623
5-(2-bromo-4-methoxyphenoxy)pyrazin-2-amine
CID 104708756
4-(2-bromo-4-methoxyphenoxy)pyrimidin-5-amine
CID 104706575
2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline
CID 104706561
[4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 83237844
4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 107171739
[2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 104706374

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromo-4-methoxyphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine?
The IUPAC name of [4-(2-bromo-4-methoxyphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine (CID 104708879) is [4-(2-bromo-4-methoxyphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine.
What is the SMILES notation for [4-(2-bromo-4-methoxyphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine?
The canonical SMILES for [4-(2-bromo-4-methoxyphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine is COc1ccc(Oc2nc(NN)nc3[nH]ncc23)c(Br)c1.
What is the InChIKey of [4-(2-bromo-4-methoxyphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine?
The InChIKey is VYTFNMAOKNNSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN6O2/c1-20-6-2-3-9(8(13)4-6)21-11-7-5-15-19-10(7)16-12(17-11)18-14/h2-5H,14H2,1H3,(H2,15,16,17,18,19).
What are the key properties of [4-(2-bromo-4-methoxyphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine?
[4-(2-bromo-4-methoxyphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine has a molecular weight of 351.16 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromo-4-methoxyphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]hydrazine is sourced from PubChem (CID 104708879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).