1-methyl-N-(3-methylsulfonylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

C10H15N5O2S — CID 47292442

IUPAC1-methyl-N-(3-methylsulfonylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCCCS(C)(=O)=O)ncnc21
InChIInChI=1S/C10H15N5O2S/c1-15-10-8(6-14-15)9(12-7-13-10)11-4-3-5-18(2,16)17/h6-7H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyCKXDKMDGQNQGDU-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.21
Rot. Bonds5

About 1-methyl-N-(3-methylsulfonylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-(3-methylsulfonylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 47292442) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-methyl-N-(3-methylsulfonylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(3-methylsulfonylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID47292442
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name1-methyl-N-(3-methylsulfonylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCCCS(C)(=O)=O)ncnc21
InChIInChI=1S/C10H15N5O2S/c1-15-10-8(6-14-15)9(12-7-13-10)11-4-3-5-18(2,16)17/h6-7H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyCKXDKMDGQNQGDU-UHFFFAOYSA-N
XLogP0.21
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-methyl-N-(3-methylsulfonylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine 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 1-methyl-N-(3-methylsulfonylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-(3-methylsulfonylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 47292442) is 1-methyl-N-(3-methylsulfonylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-(3-methylsulfonylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-(3-methylsulfonylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCCCS(C)(=O)=O)ncnc21.
What is the InChIKey of 1-methyl-N-(3-methylsulfonylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CKXDKMDGQNQGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-15-10-8(6-14-15)9(12-7-13-10)11-4-3-5-18(2,16)17/h6-7H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 1-methyl-N-(3-methylsulfonylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-(3-methylsulfonylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 269.33 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylsulfonylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 47292442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).