[6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine

C13H13FN6S — CID 63221859

IUPAC[6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCn1ncc2c(NN)nc(CSc3ccccc3F)nc21
InChIInChI=1S/C13H13FN6S/c1-20-13-8(6-16-20)12(19-15)17-11(18-13)7-21-10-5-3-2-4-9(10)14/h2-6H,7,15H2,1H3,(H,17,18,19)
InChIKeyDVWIXIJOYZFSEU-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.08
Rot. Bonds4

About [6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine

[6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 63221859) has the molecular formula C13H13FN6S and a molecular weight of 304.35 g/mol. Its IUPAC name is [6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID63221859
Molecular FormulaC13H13FN6S
Molecular Weight304.35 g/mol
Exact Mass304.09
IUPAC Name[6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCn1ncc2c(NN)nc(CSc3ccccc3F)nc21
InChIInChI=1S/C13H13FN6S/c1-20-13-8(6-16-20)12(19-15)17-11(18-13)7-21-10-5-3-2-4-9(10)14/h2-6H,7,15H2,1H3,(H,17,18,19)
InChIKeyDVWIXIJOYZFSEU-UHFFFAOYSA-N
XLogP2.08
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
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

3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]butan-2-ol
CID 107772003
[1-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 63221592
3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 63221684
[6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 82007218
[1-methyl-6-(2-methylsulfonylethylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 63660317
5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine
CID 66301835
N-ethyl-1-methyl-6-(pyridin-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221339
2,2,2-trifluoro-N-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-N-methylethanamine
CID 63222071
N,1-dimethyl-6-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63222068
[1-methyl-6-[(2-methyloxolan-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 107756709
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66306504
[2-[(2-fluorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanamine
CID 114245147

Frequently Asked Questions

What is the IUPAC name of [6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (CID 63221859) is [6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is Cn1ncc2c(NN)nc(CSc3ccccc3F)nc21.
What is the InChIKey of [6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is DVWIXIJOYZFSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN6S/c1-20-13-8(6-16-20)12(19-15)17-11(18-13)7-21-10-5-3-2-4-9(10)14/h2-6H,7,15H2,1H3,(H,17,18,19).
What are the key properties of [6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
[6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 304.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 63221859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).