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

C14H13N5OS — CID 2037560

IUPAC2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESNC(=O)CSc1ncnc2c1cnn2Cc1ccccc1
InChIInChI=1S/C14H13N5OS/c15-12(20)8-21-14-11-6-18-19(13(11)16-9-17-14)7-10-4-2-1-3-5-10/h1-6,9H,7-8H2,(H2,15,20)
InChIKeyASDPGVUTJADXHZ-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.45
Rot. Bonds5

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

2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 2037560) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID2037560
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESNC(=O)CSc1ncnc2c1cnn2Cc1ccccc1
InChIInChI=1S/C14H13N5OS/c15-12(20)8-21-14-11-6-18-19(13(11)16-9-17-14)7-10-4-2-1-3-5-10/h1-6,9H,7-8H2,(H2,15,20)
InChIKeyASDPGVUTJADXHZ-UHFFFAOYSA-N
XLogP1.45
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.45
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)sulfanylacetamide?
The IUPAC name of 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (CID 2037560) is 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is NC(=O)CSc1ncnc2c1cnn2Cc1ccccc1.
What is the InChIKey of 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is ASDPGVUTJADXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c15-12(20)8-21-14-11-6-18-19(13(11)16-9-17-14)7-10-4-2-1-3-5-10/h1-6,9H,7-8H2,(H2,15,20).
What are the key properties of 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 299.36 g/mol, XLogP of 1.45, 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)sulfanylacetamide is sourced from PubChem (CID 2037560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).