1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

C11H17N5S — CID 115663474

IUPAC1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCSC(C)(C)CNc1ncnc2c1cnn2C
InChIInChI=1S/C11H17N5S/c1-11(2,17-4)6-12-9-8-5-15-16(3)10(8)14-7-13-9/h5,7H,6H2,1-4H3,(H,12,13,14)
InChIKeyXGVJXRBACBHZMA-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.92
Rot. Bonds4

About 1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 115663474) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID115663474
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCSC(C)(C)CNc1ncnc2c1cnn2C
InChIInChI=1S/C11H17N5S/c1-11(2,17-4)6-12-9-8-5-15-16(3)10(8)14-7-13-9/h5,7H,6H2,1-4H3,(H,12,13,14)
InChIKeyXGVJXRBACBHZMA-UHFFFAOYSA-N
XLogP1.92
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-diethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 106251404
N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 79099379
1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 78962999
1-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 171705345
2-methyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63194332
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 60710985
1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 115637656
2,2-dimethyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanoic acid
CID 114285536
N-ethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906576
6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 103917942
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 113313719
1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590085

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 115663474) is 1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is CSC(C)(C)CNc1ncnc2c1cnn2C.
What is the InChIKey of 1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XGVJXRBACBHZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-11(2,17-4)6-12-9-8-5-15-16(3)10(8)14-7-13-9/h5,7H,6H2,1-4H3,(H,12,13,14).
What are the key properties of 1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 251.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-2-methylsulfanylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 115663474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).