N,N-diethyl-2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide

C18H21N5OS — CID 7995915

IUPACN,N-diethyl-2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc(C)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C18H21N5OS/c1-4-22(5-2)16(24)12-25-18-15-11-19-23(14-9-7-6-8-10-14)17(15)20-13(3)21-18/h6-11H,4-5,12H2,1-3H3
InChIKeyDYRYZRFHSDHTNK-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.08
Rot. Bonds6

About N,N-diethyl-2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide

N,N-diethyl-2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 7995915) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N,N-diethyl-2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID7995915
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN,N-diethyl-2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc(C)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C18H21N5OS/c1-4-22(5-2)16(24)12-25-18-15-11-19-23(14-9-7-6-8-10-14)17(15)20-13(3)21-18/h6-11H,4-5,12H2,1-3H3
InChIKeyDYRYZRFHSDHTNK-UHFFFAOYSA-N
XLogP3.08
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 862680
N,N-diethyl-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 135543515
N-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 16507640
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide
CID 17288729
N-(2-methylphenyl)-2-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]-propylamino]acetamide
CID 29350497
N,N-dimethyl-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 135697638
4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine
CID 71577988
1-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 42671817
N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 84601738
1-(2-fluorophenyl)-2-(1-phenyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone
CID 3385999
N-benzyl-N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 18141119
N-cyclohexyl-N-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 2653467

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N,N-diethyl-2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (CID 7995915) is N,N-diethyl-2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is CCN(CC)C(=O)CSc1nc(C)nc2c1cnn2-c1ccccc1.
What is the InChIKey of N,N-diethyl-2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is DYRYZRFHSDHTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-4-22(5-2)16(24)12-25-18-15-11-19-23(14-9-7-6-8-10-14)17(15)20-13(3)21-18/h6-11H,4-5,12H2,1-3H3.
What are the key properties of N,N-diethyl-2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
N,N-diethyl-2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 355.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 7995915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).