6-[4-(sulfinoamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidine

C11H9N5O2S — CID 90421687

IUPAC6-[4-(sulfinoamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidine
SMILESO=S(O)Nc1ccc(-c2ncc3cn[nH]c3n2)cc1
InChIInChI=1S/C11H9N5O2S/c17-19(18)16-9-3-1-7(2-4-9)10-12-5-8-6-13-15-11(8)14-10/h1-6,16H,(H,17,18)(H,12,13,14,15)
InChIKeyYSCSWZJUVIIHLZ-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.57
Rot. Bonds3

About 6-[4-(sulfinoamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidine

6-[4-(sulfinoamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidine (PubChem CID 90421687) has the molecular formula C11H9N5O2S and a molecular weight of 275.29 g/mol. Its IUPAC name is 6-[4-(sulfinoamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-[4-(sulfinoamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidine
PubChem CID90421687
Molecular FormulaC11H9N5O2S
Molecular Weight275.29 g/mol
Exact Mass275.05
IUPAC Name6-[4-(sulfinoamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidine
SMILESO=S(O)Nc1ccc(-c2ncc3cn[nH]c3n2)cc1
InChIInChI=1S/C11H9N5O2S/c17-19(18)16-9-3-1-7(2-4-9)10-12-5-8-6-13-15-11(8)14-10/h1-6,16H,(H,17,18)(H,12,13,14,15)
InChIKeyYSCSWZJUVIIHLZ-UHFFFAOYSA-N
XLogP1.57
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 6-[4-(sulfinoamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(sulfinatoamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidine
CID 90421686
4-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenol
CID 135882334
5-(sulfinoamino)-1H-indazole
CID 68877895
N-[5-(1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)-2-pyridinyl]methanesulfinamide
CID 141212772
2-phenyl-5-[4-(sulfinoamino)phenyl]-1,3-thiazole
CID 57115765
1-(sulfinoamino)-4-[4-(trifluoromethylsulfinyl)phenyl]benzene
CID 69476468
6-iodo-1H-pyrazolo[3,4-d]pyrimidine
CID 91507091
ethane;N-methyl-1H-pyrazolo[3,4-d]pyrimidine-6-carboxamide
CID 145225109
4-[4-(4-acetamidoanilino)-5-methylpyrimidin-2-yl]benzamide
CID 117086677
2,2,3,3-tetrafluoro-6-[4-(sulfinoamino)phenyl]-1,4-benzodioxine
CID 91213775
N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine
CID 122589652
1-pentoxy-4-(sulfinoamino)benzene
CID 69101346

Frequently Asked Questions

What is the IUPAC name of 6-[4-(sulfinoamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-[4-(sulfinoamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidine (CID 90421687) is 6-[4-(sulfinoamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-[4-(sulfinoamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-[4-(sulfinoamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidine is O=S(O)Nc1ccc(-c2ncc3cn[nH]c3n2)cc1.
What is the InChIKey of 6-[4-(sulfinoamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is YSCSWZJUVIIHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2S/c17-19(18)16-9-3-1-7(2-4-9)10-12-5-8-6-13-15-11(8)14-10/h1-6,16H,(H,17,18)(H,12,13,14,15).
What are the key properties of 6-[4-(sulfinoamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidine?
6-[4-(sulfinoamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 275.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(sulfinoamino)phenyl]-1H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 90421687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).