3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methyl-1,3-thiazol-2-one

C11H12N6OS — CID 63221500

IUPAC3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1Cc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C11H12N6OS/c1-6-5-19-11(18)17(6)4-8-14-9(12)7-3-13-16(2)10(7)15-8/h3,5H,4H2,1-2H3,(H2,12,14,15)
InChIKeyIOUPZLDKAGWBHU-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.53
Rot. Bonds2

About 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methyl-1,3-thiazol-2-one

3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 63221500) has the molecular formula C11H12N6OS and a molecular weight of 276.32 g/mol. Its IUPAC name is 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methyl-1,3-thiazol-2-one
PubChem CID63221500
Molecular FormulaC11H12N6OS
Molecular Weight276.32 g/mol
Exact Mass276.08
IUPAC Name3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1Cc1nc(N)c2cnn(C)c2n1
InChIInChI=1S/C11H12N6OS/c1-6-5-19-11(18)17(6)4-8-14-9(12)7-3-13-16(2)10(7)15-8/h3,5H,4H2,1-2H3,(H2,12,14,15)
InChIKeyIOUPZLDKAGWBHU-UHFFFAOYSA-N
XLogP0.53
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methyl-1,3-thiazol-2-one (CID 63221500) is 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1Cc1nc(N)c2cnn(C)c2n1.
What is the InChIKey of 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is IOUPZLDKAGWBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c1-6-5-19-11(18)17(6)4-8-14-9(12)7-3-13-16(2)10(7)15-8/h3,5H,4H2,1-2H3,(H2,12,14,15).
What are the key properties of 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methyl-1,3-thiazol-2-one?
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 276.32 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 63221500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).