[1-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine

C12H14N8S — CID 63221592

IUPAC[1-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCc1ccnc(SCc2nc(NN)c3cnn(C)c3n2)n1
InChIInChI=1S/C12H14N8S/c1-7-3-4-14-12(16-7)21-6-9-17-10(19-13)8-5-15-20(2)11(8)18-9/h3-5H,6,13H2,1-2H3,(H,17,18,19)
InChIKeyWGMPWEPQVSIUCS-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.04
Rot. Bonds4

About [1-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine

[1-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (PubChem CID 63221592) has the molecular formula C12H14N8S and a molecular weight of 302.37 g/mol. Its IUPAC name is [1-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[1-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
PubChem CID63221592
Molecular FormulaC12H14N8S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name[1-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
SMILESCc1ccnc(SCc2nc(NN)c3cnn(C)c3n2)n1
InChIInChI=1S/C12H14N8S/c1-7-3-4-14-12(16-7)21-6-9-17-10(19-13)8-5-15-20(2)11(8)18-9/h3-5H,6,13H2,1-2H3,(H,17,18,19)
InChIKeyWGMPWEPQVSIUCS-UHFFFAOYSA-N
XLogP1.04
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [1-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine with MolForge

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Related Compounds

[6-[(2-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 63221859
N,1-dimethyl-6-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63222068
3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 63221684
3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]butan-2-ol
CID 107772003
[1-methyl-6-(2-methylsulfonylethylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 63660317
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
[1-methyl-6-[(2-methyloxolan-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 107756709
[6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 82007218
N,1-dimethyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221980
4-chloro-1-methyl-6-(pyrimidin-4-ylsulfanylmethyl)pyrazolo[5,4-d]pyrimidine
CID 63698322
[6-[(4,4-dimethylpiperidin-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 63222122

Frequently Asked Questions

What is the IUPAC name of [1-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [1-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine (CID 63221592) is [1-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [1-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [1-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is Cc1ccnc(SCc2nc(NN)c3cnn(C)c3n2)n1.
What is the InChIKey of [1-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
The InChIKey is WGMPWEPQVSIUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8S/c1-7-3-4-14-12(16-7)21-6-9-17-10(19-13)8-5-15-20(2)11(8)18-9/h3-5H,6,13H2,1-2H3,(H,17,18,19).
What are the key properties of [1-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine?
[1-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine has a molecular weight of 302.37 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 63221592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).