N-tert-butyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide

C17H19N5OS — CID 859496

IUPACN-tert-butyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCC(C)(C)NC(=O)CSc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H19N5OS/c1-17(2,3)21-14(23)10-24-16-13-9-20-22(15(13)18-11-19-16)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,21,23)
InChIKeyDCRXEWOYSLFTLP-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.82
Rot. Bonds4

About N-tert-butyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide

N-tert-butyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 859496) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-tert-butyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID859496
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-tert-butyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCC(C)(C)NC(=O)CSc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H19N5OS/c1-17(2,3)21-14(23)10-24-16-13-9-20-22(15(13)18-11-19-16)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,21,23)
InChIKeyDCRXEWOYSLFTLP-UHFFFAOYSA-N
XLogP2.82
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (CID 859496) is N-tert-butyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is CC(C)(C)NC(=O)CSc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of N-tert-butyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is DCRXEWOYSLFTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-17(2,3)21-14(23)10-24-16-13-9-20-22(15(13)18-11-19-16)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,21,23).
What are the key properties of N-tert-butyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
N-tert-butyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 341.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 859496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).