N,N-diethyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide

C17H21N3O3S — CID 135893777

IUPACN,N-diethyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc(O)c(C)c(=O)n1-c1ccccc1
InChIInChI=1S/C17H21N3O3S/c1-4-19(5-2)14(21)11-24-17-18-15(22)12(3)16(23)20(17)13-9-7-6-8-10-13/h6-10,22H,4-5,11H2,1-3H3
InChIKeyBOCDIXLIJKAQJS-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.21
Rot. Bonds6

About N,N-diethyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide

N,N-diethyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 135893777) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N,N-diethyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
PubChem CID135893777
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN,N-diethyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc(O)c(C)c(=O)n1-c1ccccc1
InChIInChI=1S/C17H21N3O3S/c1-4-19(5-2)14(21)11-24-17-18-15(22)12(3)16(23)20(17)13-9-7-6-8-10-13/h6-10,22H,4-5,11H2,1-3H3
InChIKeyBOCDIXLIJKAQJS-UHFFFAOYSA-N
XLogP2.21
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N,N-diethyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide (CID 135893777) is N,N-diethyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide is CCN(CC)C(=O)CSc1nc(O)c(C)c(=O)n1-c1ccccc1.
What is the InChIKey of N,N-diethyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is BOCDIXLIJKAQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-4-19(5-2)14(21)11-24-17-18-15(22)12(3)16(23)20(17)13-9-7-6-8-10-13/h6-10,22H,4-5,11H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide?
N,N-diethyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 347.44 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135893777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).