N-tert-butyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide

C11H15N5O2S — CID 135472824

IUPACN-tert-butyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C11H15N5O2S/c1-11(2,3)15-7(17)5-19-10-13-8-6(4-12-16-8)9(18)14-10/h4H,5H2,1-3H3,(H,15,17)(H2,12,13,14,16,18)
InChIKeyGNNBGXUGRWHSFN-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.65
Rot. Bonds3

About N-tert-butyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide

N-tert-butyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 135472824) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID135472824
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN-tert-butyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSc1nc2[nH]ncc2c(=O)[nH]1
InChIInChI=1S/C11H15N5O2S/c1-11(2,3)15-7(17)5-19-10-13-8-6(4-12-16-8)9(18)14-10/h4H,5H2,1-3H3,(H,15,17)(H2,12,13,14,16,18)
InChIKeyGNNBGXUGRWHSFN-UHFFFAOYSA-N
XLogP0.65
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-tert-butyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide (CID 135472824) is N-tert-butyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide is CC(C)(C)NC(=O)CSc1nc2[nH]ncc2c(=O)[nH]1.
What is the InChIKey of N-tert-butyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is GNNBGXUGRWHSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-11(2,3)15-7(17)5-19-10-13-8-6(4-12-16-8)9(18)14-10/h4H,5H2,1-3H3,(H,15,17)(H2,12,13,14,16,18).
What are the key properties of N-tert-butyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
N-tert-butyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 281.34 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 135472824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).