3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C14H11N5S — CID 52948010

IUPAC3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(-c2cc3ccccc3s2)c2c(N)ncnc21
InChIInChI=1S/C14H11N5S/c1-19-14-11(13(15)16-7-17-14)12(18-19)10-6-8-4-2-3-5-9(8)20-10/h2-7H,1H3,(H2,15,16,17)
InChIKeyXWPGTERWQLQPCG-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.83
Rot. Bonds1

About 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 52948010) has the molecular formula C14H11N5S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID52948010
Molecular FormulaC14H11N5S
Molecular Weight281.34 g/mol
Exact Mass281.07
IUPAC Name3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(-c2cc3ccccc3s2)c2c(N)ncnc21
InChIInChI=1S/C14H11N5S/c1-19-14-11(13(15)16-7-17-14)12(18-19)10-6-8-4-2-3-5-9(8)20-10/h2-7H,1H3,(H2,15,16,17)
InChIKeyXWPGTERWQLQPCG-UHFFFAOYSA-N
XLogP2.83
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 52948010) is 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1nc(-c2cc3ccccc3s2)c2c(N)ncnc21.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XWPGTERWQLQPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S/c1-19-14-11(13(15)16-7-17-14)12(18-19)10-6-8-4-2-3-5-9(8)20-10/h2-7H,1H3,(H2,15,16,17).
What are the key properties of 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 281.34 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 52948010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).