N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide

C12H19N3O3S — CID 135401674

IUPACN,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc(O)cc(=O)n1CC
InChIInChI=1S/C12H19N3O3S/c1-4-14(5-2)11(18)8-19-12-13-9(16)7-10(17)15(12)6-3/h7,16H,4-6,8H2,1-3H3
InChIKeyKTUWXRSRTSWALI-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.93
Rot. Bonds6

About N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide

N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide (PubChem CID 135401674) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
PubChem CID135401674
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc(O)cc(=O)n1CC
InChIInChI=1S/C12H19N3O3S/c1-4-14(5-2)11(18)8-19-12-13-9(16)7-10(17)15(12)6-3/h7,16H,4-6,8H2,1-3H3
InChIKeyKTUWXRSRTSWALI-UHFFFAOYSA-N
XLogP0.93
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.93
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-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide (CID 135401674) is N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide is CCN(CC)C(=O)CSc1nc(O)cc(=O)n1CC.
What is the InChIKey of N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is KTUWXRSRTSWALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-14(5-2)11(18)8-19-12-13-9(16)7-10(17)15(12)6-3/h7,16H,4-6,8H2,1-3H3.
What are the key properties of N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide?
N,N-diethyl-2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 285.37 g/mol, XLogP of 0.93, 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-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 135401674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).