6-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

C11H16N6O2S — CID 63220823

IUPAC6-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(CN2CCCS2(=O)=O)nc2c1cnn2C
InChIInChI=1S/C11H16N6O2S/c1-12-10-8-6-13-16(2)11(8)15-9(14-10)7-17-4-3-5-20(17,18)19/h6H,3-5,7H2,1-2H3,(H,12,14,15)
InChIKeyPTXIKQRCNLGLRR-UHFFFAOYSA-N
MW296.36 g/mol
LogP-0.06
Rot. Bonds3

About 6-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

6-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63220823) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is 6-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63220823
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC Name6-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(CN2CCCS2(=O)=O)nc2c1cnn2C
InChIInChI=1S/C11H16N6O2S/c1-12-10-8-6-13-16(2)11(8)15-9(14-10)7-17-4-3-5-20(17,18)19/h6H,3-5,7H2,1-2H3,(H,12,14,15)
InChIKeyPTXIKQRCNLGLRR-UHFFFAOYSA-N
XLogP-0.06
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220746
1-[[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methyl]pyrrolidine-2,5-dione
CID 63220999
6-[(3-methoxypyrrolidin-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 103538617
3-[[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64830431
[1-methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidin-6-yl]methanol
CID 63221291
N,1-dimethyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220908
6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221324
N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220563
N-ethyl-1-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220147
6-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221003
N,1-dimethyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221980
N,1-dimethyl-6-[[methyl(pentan-3-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220534

Frequently Asked Questions

What is the IUPAC name of 6-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 63220823) is 6-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is CNc1nc(CN2CCCS2(=O)=O)nc2c1cnn2C.
What is the InChIKey of 6-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PTXIKQRCNLGLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c1-12-10-8-6-13-16(2)11(8)15-9(14-10)7-17-4-3-5-20(17,18)19/h6H,3-5,7H2,1-2H3,(H,12,14,15).
What are the key properties of 6-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
6-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 296.36 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63220823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).