N,N-diethyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide

C13H19N5O3S — CID 135752807

IUPACN,N-diethyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc2c(cnn2CCO)c(=O)[nH]1
InChIInChI=1S/C13H19N5O3S/c1-3-17(4-2)10(20)8-22-13-15-11-9(12(21)16-13)7-14-18(11)5-6-19/h7,19H,3-6,8H2,1-2H3,(H,15,16,21)
InChIKeyRDVNBLQKGKSCQZ-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.07
Rot. Bonds7

About N,N-diethyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide

N,N-diethyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide (PubChem CID 135752807) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is N,N-diethyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide
PubChem CID135752807
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC NameN,N-diethyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc2c(cnn2CCO)c(=O)[nH]1
InChIInChI=1S/C13H19N5O3S/c1-3-17(4-2)10(20)8-22-13-15-11-9(12(21)16-13)7-14-18(11)5-6-19/h7,19H,3-6,8H2,1-2H3,(H,15,16,21)
InChIKeyRDVNBLQKGKSCQZ-UHFFFAOYSA-N
XLogP0.07
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,N-diethyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide with MolForge

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Related Compounds

1-(2-hydroxyethyl)-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408778
1-(2-hydroxyethyl)-6-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135408738
6-((2-(azepan-1-yl)-2-oxoethyl)thio)-1-(2-hydroxyethyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135731832
1-(2-hydroxyethyl)-6-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135731833
N-cyclohexyl-2-((1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)acetamide
CID 135731837
2-((1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)-N-isopropylacetamide
CID 135731855
1-(2-hydroxyethyl)-6-((2-oxopropyl)thio)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135752864
6,7-Dihydro-2-methylpyrazolo[3,4-d]thiazolo[3,2-a]pyrimidin-4(2H)-one
CID 610342
2-[1-(2-hydroxyethyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide
CID 7422865
ethyl 2-((1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)butanoate
CID 135731847
methyl 2-{[1-(2-hydroxyethyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetate
CID 135752833
2-((1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 135870113

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide (CID 135752807) is N,N-diethyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide is CCN(CC)C(=O)CSc1nc2c(cnn2CCO)c(=O)[nH]1.
What is the InChIKey of N,N-diethyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide?
The InChIKey is RDVNBLQKGKSCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-3-17(4-2)10(20)8-22-13-15-11-9(12(21)16-13)7-14-18(11)5-6-19/h7,19H,3-6,8H2,1-2H3,(H,15,16,21).
What are the key properties of N,N-diethyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide?
N,N-diethyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide has a molecular weight of 325.39 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[1-(2-hydroxyethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide is sourced from PubChem (CID 135752807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).