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

C12H9N7S2 — CID 146268707

IUPAC6-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2nccs2)nc2nn(Cc3nccs3)cc12
InChIInChI=1S/C12H9N7S2/c13-9-7-5-19(6-8-14-1-3-20-8)18-10(7)17-11(16-9)12-15-2-4-21-12/h1-5H,6H2,(H2,13,16,17,18)
InChIKeyGKNWVCXNRQQLKG-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.04
Rot. Bonds3

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

6-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 146268707) has the molecular formula C12H9N7S2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 6-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID146268707
Molecular FormulaC12H9N7S2
Molecular Weight315.39 g/mol
Exact Mass315.04
IUPAC Name6-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2nccs2)nc2nn(Cc3nccs3)cc12
InChIInChI=1S/C12H9N7S2/c13-9-7-5-19(6-8-14-1-3-20-8)18-10(7)17-11(16-9)12-15-2-4-21-12/h1-5H,6H2,(H2,13,16,17,18)
InChIKeyGKNWVCXNRQQLKG-UHFFFAOYSA-N
XLogP2.04
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 146268707) is 6-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1nc(-c2nccs2)nc2nn(Cc3nccs3)cc12.
What is the InChIKey of 6-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GKNWVCXNRQQLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N7S2/c13-9-7-5-19(6-8-14-1-3-20-8)18-10(7)17-11(16-9)12-15-2-4-21-12/h1-5H,6H2,(H2,13,16,17,18).
What are the key properties of 6-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
6-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 315.39 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-thiazol-2-yl)-2-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146268707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).