2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanol

C14H14N4OS — CID 16729545

IUPAC2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanol
SMILESOCCSc1ncnc2c1cnn2Cc1ccccc1
InChIInChI=1S/C14H14N4OS/c19-6-7-20-14-12-8-17-18(13(12)15-10-16-14)9-11-4-2-1-3-5-11/h1-5,8,10,19H,6-7,9H2
InChIKeyGPIIIZSRSIIIBN-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.96
Rot. Bonds5

About 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanol

2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanol (PubChem CID 16729545) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanol
PubChem CID16729545
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanol
SMILESOCCSc1ncnc2c1cnn2Cc1ccccc1
InChIInChI=1S/C14H14N4OS/c19-6-7-20-14-12-8-17-18(13(12)15-10-16-14)9-11-4-2-1-3-5-11/h1-5,8,10,19H,6-7,9H2
InChIKeyGPIIIZSRSIIIBN-UHFFFAOYSA-N
XLogP1.96
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanol?
The IUPAC name of 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanol (CID 16729545) is 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanol.
What is the SMILES notation for 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanol?
The canonical SMILES for 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanol is OCCSc1ncnc2c1cnn2Cc1ccccc1.
What is the InChIKey of 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanol?
The InChIKey is GPIIIZSRSIIIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c19-6-7-20-14-12-8-17-18(13(12)15-10-16-14)9-11-4-2-1-3-5-11/h1-5,8,10,19H,6-7,9H2.
What are the key properties of 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanol?
2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanol has a molecular weight of 286.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanol is sourced from PubChem (CID 16729545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).