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

C11H12N6S — CID 47282291

IUPAC1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(CNc2ncnc3c2cnn3C)cs1
InChIInChI=1S/C11H12N6S/c1-7-16-8(5-18-7)3-12-10-9-4-15-17(2)11(9)14-6-13-10/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyWJQLMZBUFPCTSK-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.74
Rot. Bonds3

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

1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 47282291) has the molecular formula C11H12N6S and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID47282291
Molecular FormulaC11H12N6S
Molecular Weight260.33 g/mol
Exact Mass260.08
IUPAC Name1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(CNc2ncnc3c2cnn3C)cs1
InChIInChI=1S/C11H12N6S/c1-7-16-8(5-18-7)3-12-10-9-4-15-17(2)11(9)14-6-13-10/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyWJQLMZBUFPCTSK-UHFFFAOYSA-N
XLogP1.74
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 47282291) is 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(CNc2ncnc3c2cnn3C)cs1.
What is the InChIKey of 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WJQLMZBUFPCTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6S/c1-7-16-8(5-18-7)3-12-10-9-4-15-17(2)11(9)14-6-13-10/h4-6H,3H2,1-2H3,(H,12,13,14).
What are the key properties of 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 260.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 47282291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).