5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidine-4-thione

C11H10N6S — CID 3072254

IUPAC5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidine-4-thione
SMILESNn1c(Nc2ccccc2)nc2[nH]ncc2c1=S
InChIInChI=1S/C11H10N6S/c12-17-10(18)8-6-13-16-9(8)15-11(17)14-7-4-2-1-3-5-7/h1-6H,12H2,(H2,13,14,15,16)
InChIKeyUACHFHYFXFEPHX-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.95
Rot. Bonds2

About 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidine-4-thione

5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidine-4-thione (PubChem CID 3072254) has the molecular formula C11H10N6S and a molecular weight of 258.31 g/mol. Its IUPAC name is 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidine-4-thione
PubChem CID3072254
Molecular FormulaC11H10N6S
Molecular Weight258.31 g/mol
Exact Mass258.07
IUPAC Name5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidine-4-thione
SMILESNn1c(Nc2ccccc2)nc2[nH]ncc2c1=S
InChIInChI=1S/C11H10N6S/c12-17-10(18)8-6-13-16-9(8)15-11(17)14-7-4-2-1-3-5-7/h1-6H,12H2,(H2,13,14,15,16)
InChIKeyUACHFHYFXFEPHX-UHFFFAOYSA-N
XLogP1.95
TPSA84.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidine-4-thione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidine-4-thione?
The IUPAC name of 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidine-4-thione (CID 3072254) is 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidine-4-thione.
What is the SMILES notation for 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidine-4-thione?
The canonical SMILES for 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidine-4-thione is Nn1c(Nc2ccccc2)nc2[nH]ncc2c1=S.
What is the InChIKey of 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidine-4-thione?
The InChIKey is UACHFHYFXFEPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6S/c12-17-10(18)8-6-13-16-9(8)15-11(17)14-7-4-2-1-3-5-7/h1-6H,12H2,(H2,13,14,15,16).
What are the key properties of 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidine-4-thione?
5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidine-4-thione has a molecular weight of 258.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-anilino-1H-pyrazolo[5,4-d]pyrimidine-4-thione is sourced from PubChem (CID 3072254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).