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

C9H8N6S — CID 82880801

IUPAC6-methyl-1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N)c2cnn(-c3nccs3)c2n1
InChIInChI=1S/C9H8N6S/c1-5-13-7(10)6-4-12-15(8(6)14-5)9-11-2-3-16-9/h2-4H,1H3,(H2,10,13,14)
InChIKeyZUCSQMAVGYDNPD-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.16
Rot. Bonds1

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

6-methyl-1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 82880801) has the molecular formula C9H8N6S and a molecular weight of 232.27 g/mol. Its IUPAC name is 6-methyl-1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID82880801
Molecular FormulaC9H8N6S
Molecular Weight232.27 g/mol
Exact Mass232.05
IUPAC Name6-methyl-1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N)c2cnn(-c3nccs3)c2n1
InChIInChI=1S/C9H8N6S/c1-5-13-7(10)6-4-12-15(8(6)14-5)9-11-2-3-16-9/h2-4H,1H3,(H2,10,13,14)
InChIKeyZUCSQMAVGYDNPD-UHFFFAOYSA-N
XLogP1.16
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 82880801) is 6-methyl-1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(N)c2cnn(-c3nccs3)c2n1.
What is the InChIKey of 6-methyl-1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZUCSQMAVGYDNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6S/c1-5-13-7(10)6-4-12-15(8(6)14-5)9-11-2-3-16-9/h2-4H,1H3,(H2,10,13,14).
What are the key properties of 6-methyl-1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
6-methyl-1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 232.27 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 82880801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).