1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C12H19N5S — CID 107756543

IUPAC1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)C(C)SCc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C12H19N5S/c1-7(2)8(3)18-6-10-15-11(13)9-5-14-17(4)12(9)16-10/h5,7-8H,6H2,1-4H3,(H2,13,15,16)
InChIKeyBXOPDKDLCXSXOZ-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.22
Rot. Bonds4

About 1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 107756543) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is 1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID107756543
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)C(C)SCc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C12H19N5S/c1-7(2)8(3)18-6-10-15-11(13)9-5-14-17(4)12(9)16-10/h5,7-8H,6H2,1-4H3,(H2,13,15,16)
InChIKeyBXOPDKDLCXSXOZ-UHFFFAOYSA-N
XLogP2.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]butan-2-ol
CID 107772003
1-methyl-6-[(2-methylfuran-3-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 107782349
6-[(2,5-dichlorophenyl)sulfanylmethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63221154
1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221487
6-(2,2-difluoroethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82006619
1-methyl-6-(4-methylpentoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220877
1-methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220885
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl-methylamino]-2-methylpropanenitrile
CID 55163713
1-methyl-6-(1-phenylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221104
6-(2-methoxyethoxymethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220831
1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220955
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 63221574

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 107756543) is 1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)C(C)SCc1nc(N)c2cnn(C)c2n1.
What is the InChIKey of 1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BXOPDKDLCXSXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-7(2)8(3)18-6-10-15-11(13)9-5-14-17(4)12(9)16-10/h5,7-8H,6H2,1-4H3,(H2,13,15,16).
What are the key properties of 1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 265.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(3-methylbutan-2-ylsulfanylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 107756543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).